Brobactam
TL;DR: Brobactam (CAS 26631-90-3) is a chemical compound with molecular formula C8H10BrNO3S and molecular weight 278.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Brobactam, Brobactamum, Brobactam [INN], 6-Bromopenicillanic acid, Sulbactam EP Impurity D
| Molecular Formula | C8H10BrNO3S |
|---|---|
| Molecular Weight | 278.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.95648 |
| Heavy Atoms | 14 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 26631-90-3 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)Br)C(=O)O)C |
| InChIKey | DAVPSCAAXXVSFU-ALEPSDHESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brobactam (CAS 26631-90-3), with molecular formula C8H10BrNO3S and molecular weight 278.96 g/mol. IUPAC: (2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Brobactam
Property Insights of Brobactam
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brobactam. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Brobactam. Following Lipinski's Rule of Five, Brobactam has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brobactam?
The CAS number of Brobactam is 26631-90-3.
What is the molecular formula of Brobactam?
The molecular formula of Brobactam is C8H10BrNO3S.
What is the molecular weight of Brobactam?
The molecular weight of Brobactam is 278.96 g/mol.
Where can I buy Brobactam?
You can request a quote for Brobactam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brobactam?
Yes, KEHONG BIO provides custom synthesis services for Brobactam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.