Clometocillin
TL;DR: Clometocillin (CAS 1926-49-4) is a chemical compound with molecular formula C17H18Cl2N2O5S and molecular weight 432.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Clometocillin, Clometacillin, Clometocilina, Clometocilline, clomethacillin
| Molecular Formula | C17H18Cl2N2O5S |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.03134 |
| Heavy Atoms | 27 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 1926-49-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)OC)C(=O)O)C |
| InChIKey | JKXQBIZCQJLVOS-GSNLGQFWSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clometocillin (CAS 1926-49-4), with molecular formula C17H18Cl2N2O5S and molecular weight 432.03 g/mol. IUPAC: (2S,5R,6R)-6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Clometocillin
Property Insights of Clometocillin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clometocillin. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Clometocillin. Following Lipinski's Rule of Five, Clometocillin has 2 hydrogen bond donor(s) and 6 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 Clometocillin?
The CAS number of Clometocillin is 1926-49-4.
What is the molecular formula of Clometocillin?
The molecular formula of Clometocillin is C17H18Cl2N2O5S.
What is the molecular weight of Clometocillin?
The molecular weight of Clometocillin is 432.03 g/mol.
Where can I buy Clometocillin?
You can request a quote for Clometocillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clometocillin?
Yes, KEHONG BIO provides custom synthesis services for Clometocillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.