phenoxymethyl penicillinic acid*free acid (CAS 87-08-1) — formula C16H18N2O5S, molecular weight 350.4; category pharmaceutical intermediates and APIs.
phenoxymethyl penicillinic acid*free acid (CAS 87-08-1) is a chemical raw material in the pharmaceutical intermediates and APIs category. Its molecular formula C16H18N2O5S comprises 16 C, 18 H, 2 N, 5 O, 1 S atoms. Its molecular weight is about 350.4. Reported physicochemical data: melting point around 120 - 128 °C, LogP about 2.09. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 87-08-1 |
|---|---|
| Molecular Formula | C16H18N2O5S |
| Molecular Weight | 350.4 |
| Melting Point | 120 - 128 °C |
| LogP | 2.09 |
| Applications | Used to prepare 6-APA on a large scale by selective enzymatic hydrolysis, MEDICATION, MEDICATION (VET), Use (kg, approx.) in Germany (2009): >25000, exact) in Germany (2009): 48895 |
| Category | Pharmaceutical Intermediates & APIs |
Documented applications: Used to prepare 6-APA on a large scale by selective enzymatic hydrolysis, MEDICATION, MEDICATION (VET), Use (kg, approx.) in Germany (2009): >25000, exact) in Germany (2009): 48895.
phenoxymethyl penicillinic acid*free acid is a pharmaceutical intermediate or API compound with CAS registry number 87-08-1 and molecular formula C16H18N2O5S (molecular weight 350.4), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 87-08-1
Its molecular formula C16H18N2O5S comprises 16 C, 18 H, 2 N, 5 O, 1 S atoms.
Also known as: phenoxymethyl penicillinic acid*free acid · 苯氧基甲基青霉素酸*游离酸
Category: pharmaceutical intermediates and APIs
The CAS registry number of phenoxymethyl penicillinic acid*free acid is 87-08-1.
Molecular formula C16H18N2O5S, molecular weight 350.4.
It is also registered under: phenoxymethyl penicillinic acid*free acid, 苯氧基甲基青霉素酸*游离酸.
Recorded applications: Used to prepare 6-APA on a large scale by selective enzymatic hydrolysis, MEDICATION, MEDICATION (VET), Use (kg, approx.) in Germany (2009): >25000, exact) in Germany (2009): 48895.
Category: Pharmaceutical Intermediates & APIs.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for phenoxymethyl penicillinic acid*free acid (CAS 87-08-1), compiled from public chemistry databases.
| CAS Registry Number | 87-08-1 |
|---|---|
| PubChem CID | 6869 |
| Molecular formula | C16H18N2O5S |
| IUPAC name | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| UNII (FDA) | Z61I075U2W |
| Molecular Weight | 350.4 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 350.09364285 |
| Monoisotopic Mass | 350.09364285 |
| Topological Polar Surface Area | 121 |
| Heavy Atom Count | 24 |
| Melting Point | 120 - 128 °C |
|---|---|
| Solubility | <0.1 g/100mL |
| Solubility | 4.54e-01 g/L |
| LogP | 2.09 |
| LogP | 1.4 |
| LogP | 1.95 |
| Dissociation Constants | 2.735 |
| Dissociation Constants | 2.79 |
| Dissociation Constants | pKa 2.73 |
| Other Experimental Properties | 120-128 °C (decomp) |
penicillin v; Phenoxymethylpenicillin; 87-08-1; Oracillin; Vebecillin; Penicillin phenoxymethyl; Phenopenicillin; Distaquaine V; Meropenin; Phenomycilline; V-Cillin; Fenospen; Beromycin; Fenacilin; Stabicillin; Apopen
| Reported hazard statements | H317 (100%), H334 (100%) |
|---|
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
phenoxymethyl penicillinic acid*free acid · CAS 87-08-1 · C16H18N2O5S. UNII Z61I075U2W. Melting Point: 120 - 128 °C; Solubility: <0.1 g/100mL; Solubility: 4.54e-01 g/L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯氧基甲基青霉素酸*游离酸