Cloxacillin sulfone
TL;DR: Cloxacillin sulfone (CAS 76788-83-5) is a chemical compound with molecular formula C19H18ClN3O7S and molecular weight 467.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Cloxacillin sulfone, Cloxacillin Impurity 8, 6-(3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin sulfone, (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-(2alpha,5alpha,6beta))-
| Molecular Formula | C19H18ClN3O7S |
|---|---|
| Molecular Weight | 467.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.0554 |
| Heavy Atoms | 31 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 76788-83-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4(=O)=O)(C)C)C(=O)O |
| InChIKey | NVNVYZJTNPZRPA-JKIFEVAISA-N |
Product Overview
Cloxacillin sulfone (CAS 76788-83-5), with molecular formula C19H18ClN3O7S and molecular weight 467.06 g/mol. IUPAC: (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Cloxacillin sulfone
Property Insights of Cloxacillin sulfone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cloxacillin sulfone. The TPSA of 155.0 Ų indicates high polarity, suggesting Cloxacillin sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cloxacillin sulfone has 2 hydrogen bond donor(s) and 8 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 Cloxacillin sulfone?
The CAS number of Cloxacillin sulfone is 76788-83-5.
What is the molecular formula of Cloxacillin sulfone?
The molecular formula of Cloxacillin sulfone is C19H18ClN3O7S.
What is the molecular weight of Cloxacillin sulfone?
The molecular weight of Cloxacillin sulfone is 467.06 g/mol.
Where can I buy Cloxacillin sulfone?
You can request a quote for Cloxacillin sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cloxacillin sulfone?
Yes, KEHONG BIO provides custom synthesis services for Cloxacillin sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.