methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS 80629-46-5) — formula C11H16BrNO4S, molecular weight 338.22; category organic chemicals.
methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS 80629-46-5) is a chemical raw material in the organic chemicals category. Its molecular formula C11H16BrNO4S comprises 11 C, 16 H, 1 Br, 1 N, 4 O, 1 S atoms. Its molecular weight is about 338.22. Reported physicochemical data: LogP about 1.6. 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 | 80629-46-5 |
|---|---|
| Molecular Formula | C11H16BrNO4S |
| Molecular Weight | 338.22 |
| LogP | 1.6 |
| Category | Organic Chemicals |
methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is a carbon-based organic compound with CAS registry number 80629-46-5 and molecular formula C11H16BrNO4S (molecular weight 338.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80629-46-5
Its molecular formula C11H16BrNO4S comprises 11 C, 16 H, 1 Br, 1 N, 4 O, 1 S atoms.
Also known as: methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate · [2S-[2α,5α,6α,6(S*)]]-6-溴-6-(1-羟乙基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸甲酯
Category: organic chemicals
The CAS registry number of methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is 80629-46-5.
Molecular formula C11H16BrNO4S, molecular weight 338.22.
It is also registered under: methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, [2S-[2α,5α,6α,6(S*)]]-6-溴-6-(1-羟乙基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸甲酯.
Category: Organic Chemicals.
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Independent reference data for methyl [2S-[2α,5α,6α,6(S*)]]-6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS 80629-46-5), compiled from public chemistry databases.
| CAS Number | 80629-46-5 |
|---|---|
| PubChem CID | 21772206 |
| Molecular Formula | C11H16BrNO4S |
| IUPAC Name | methyl (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Molecular Weight | 338.22 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 336.99834 |
| Monoisotopic Mass | 336.99834 |
| Topological Polar Surface Area | 92.1 |
| Heavy Atom Count | 18 |
80629-46-5; EINECS 279-518-6; DTXSID401106201
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [2S-[2α,5α,6α,6(S*)]]-6-溴-6-(1-羟乙基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸甲酯