C9H12ClNO5S
TL;DR: C9H12ClNO5S (CAS 76247-40-0) is a chemical compound with molecular formula C9H12ClNO5S and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: EINECS 278-401-7, Chloromethylpenicillanate-1,1-dioxide, Chloromethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide, chloromethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, CHLOROMETHYL (2S-CIS)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE 4,4-DIOXIDE
| Molecular Formula | C9H12ClNO5S |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | -0.1401 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.01248 |
| Heavy Atoms | 17 |
| Complexity | 485.6147 |
Chemical Identifiers
| CAS Number | 76247-40-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)OCCl)C |
Product Overview
C9H12ClNO5S (CAS 76247-40-0), with molecular formula C9H12ClNO5S and molecular weight 281.01 g/mol. IUPAC: chloromethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of C9H12ClNO5S
Property Insights of C9H12ClNO5S
The XLogP value of -0.1401 indicates that C9H12ClNO5S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H12ClNO5S. Following Lipinski's Rule of Five, C9H12ClNO5S has 0 hydrogen bond donor(s) and 5 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 C9H12ClNO5S?
The CAS number of C9H12ClNO5S is 76247-40-0.
What is the molecular formula of C9H12ClNO5S?
The molecular formula of C9H12ClNO5S is C9H12ClNO5S.
What is the molecular weight of C9H12ClNO5S?
The molecular weight of C9H12ClNO5S is 281.01 g/mol.
Where can I buy C9H12ClNO5S?
You can request a quote for C9H12ClNO5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H12ClNO5S?
Yes, KEHONG BIO provides custom synthesis services for C9H12ClNO5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.