4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester (CAS 33981-14-5) — formula C31H40ClNO6, molecular weight 558.1; category organic chemicals.
| CAS Number | 33981-14-5 |
|---|---|
| Molecular Formula | C31H40ClNO6 |
| Molecular Weight | 558.1 |
| LogP | 9.5 |
| Category | Organic Chemicals |
4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester is a carbon-based organic compound with CAS registry number 33981-14-5 and molecular formula C31H40ClNO6 (molecular weight 558.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33981-14-5
Its molecular formula C31H40ClNO6 comprises 31 C, 40 H, 1 Cl, 1 N, 6 O atoms.
Also known as: 4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester · 4-氯-3-(3-氧代-3-苯基-丙酰氨基)-苯甲酸，1-十二烷氧基羰基-乙酯
Category: organic chemicals
The CAS registry number of 4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester is 33981-14-5.
Molecular formula C31H40ClNO6, molecular weight 558.1.
It is also registered under: 4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester, 4-氯-3-(3-氧代-3-苯基-丙酰氨基)-苯甲酸，1-十二烷氧基羰基-乙酯.
Category: Organic Chemicals.
Independent reference data for 4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester (CAS 33981-14-5), compiled from public chemistry databases.
| CAS 号 | 33981-14-5 |
|---|---|
| PubChem CID | 13954932 |
| 分子式 | C31H40ClNO6 |
| IUPAC 名称 | (1-dodecoxy-1-oxopropan-2-yl) 4-chloro-3-[(3-oxo-3-phenylpropanoyl)amino]benzoate |
| Molecular Weight | 558.1 |
|---|---|
| XLogP3 | 9.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 20 |
| Exact Mass | 557.2544157 |
| Monoisotopic Mass | 557.2544157 |
| Topological Polar Surface Area | 98.8 |
| Heavy Atom Count | 39 |
33981-14-5; DTXSID90553232; 1-(Dodecyloxy)-1-oxopropan-2-yl 4-chloro-3-(3-oxo-3-phenylpropanamido)benzoate; RefChem:226604; DTXCID20504015; SCHEMBL9297019; YABDJDWVKQJNTN-UHFFFAOYSA-N
4-氯-3-(3-氧代-3-苯基-丙酰氨基)-苯甲酸，1-十二烷氧基羰基-乙酯 · CAS 33981-14-5 · C31H40ClNO6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.