C9H11Br2NO3S
TL;DR: C9H11Br2NO3S (CAS 24138-27-0) is a chemical compound with molecular formula C9H11Br2NO3S and molecular weight 370.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: 6,6-Dibromopenicillanic acid methyl ester, methyl (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Methyl (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, methyl 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, METHYL (2S-CIS)-6,6-DIBROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
| Molecular Formula | C9H11Br2NO3S |
|---|---|
| Molecular Weight | 370.88 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.88058 |
| Heavy Atoms | 16 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 24138-27-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)C(C2=O)(Br)Br)C(=O)OC)C |
| InChIKey | WCUKSITUCKMDKL-MHTLYPKNSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C9H11Br2NO3S (CAS 24138-27-0), with molecular formula C9H11Br2NO3S and molecular weight 370.88 g/mol. IUPAC: methyl (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of C9H11Br2NO3S
Property Insights of C9H11Br2NO3S
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H11Br2NO3S. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H11Br2NO3S. Following Lipinski's Rule of Five, C9H11Br2NO3S has 0 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 C9H11Br2NO3S?
The CAS number of C9H11Br2NO3S is 24138-27-0.
What is the molecular formula of C9H11Br2NO3S?
The molecular formula of C9H11Br2NO3S is C9H11Br2NO3S.
What is the molecular weight of C9H11Br2NO3S?
The molecular weight of C9H11Br2NO3S is 370.88 g/mol.
Where can I buy C9H11Br2NO3S?
You can request a quote for C9H11Br2NO3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H11Br2NO3S?
Yes, KEHONG BIO provides custom synthesis services for C9H11Br2NO3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.