Versaclox
TL;DR: Versaclox (CAS 425-22-9) is a chemical compound with molecular formula C38H40Cl2N6O9S2 and molecular weight 858.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Versaclox, Dicloxacillin / hetacillin, KST-1A4801, Dicloxacillin mixture with hetacillin, (2s,5r,6r)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid-(2s,5r,6r)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(1:1)
| Molecular Formula | C38H40Cl2N6O9S2 |
|---|---|
| Molecular Weight | 858.17 g/mol |
| LogP | 4.61322 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 858.16754 |
| Heavy Atoms | 57 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 425-22-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)O)C |
| InChIKey | OMGMPZMSQQVFFT-BKDJAGHOSA-N |
Product Overview
Versaclox (CAS 425-22-9), with molecular formula C38H40Cl2N6O9S2 and molecular weight 858.17 g/mol. IUPAC: (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Versaclox
Property Insights of Versaclox
The XLogP value of 4.61322 indicates that Versaclox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 253.0 Ų indicates high polarity, suggesting Versaclox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Versaclox has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Versaclox?
The CAS number of Versaclox is 425-22-9.
What is the molecular formula of Versaclox?
The molecular formula of Versaclox is C38H40Cl2N6O9S2.
What is the molecular weight of Versaclox?
The molecular weight of Versaclox is 858.17 g/mol.
Where can I buy Versaclox?
You can request a quote for Versaclox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Versaclox?
Yes, KEHONG BIO provides custom synthesis services for Versaclox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.