Cloxacillin Benzathine
TL;DR: Cloxacillin Benzathine (CAS 23736-58-5) is a chemical compound with molecular formula C54H56Cl2N8O10S2 and molecular weight 1110.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine
Also Known As: Cloxacillin benzathine, Benzathine cloxacillin, Dry-Clox, Orbenin DC, Orbenin-DC
| Molecular Formula | C54H56Cl2N8O10S2 |
|---|---|
| Molecular Weight | 1110.29 g/mol |
| LogP | 7.66 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 1110.2938 |
| Heavy Atoms | 76 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 23736-58-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| InChIKey | COCFKSXGORCFOW-VZHMHXRYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cloxacillin Benzathine (CAS 23736-58-5), with molecular formula C54H56Cl2N8O10S2 and molecular weight 1110.29 g/mol. IUPAC: bis((2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine.
Chemical Property Profile of Cloxacillin Benzathine
Property Insights of Cloxacillin Benzathine
The XLogP value of 7.66 indicates that Cloxacillin Benzathine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 300.0 Ų indicates high polarity, suggesting Cloxacillin Benzathine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cloxacillin Benzathine has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cloxacillin Benzathine?
The CAS number of Cloxacillin Benzathine is 23736-58-5.
What is the molecular formula of Cloxacillin Benzathine?
The molecular formula of Cloxacillin Benzathine is C54H56Cl2N8O10S2.
What is the molecular weight of Cloxacillin Benzathine?
The molecular weight of Cloxacillin Benzathine is 1110.29 g/mol.
Where can I buy Cloxacillin Benzathine?
You can request a quote for Cloxacillin Benzathine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cloxacillin Benzathine?
Yes, KEHONG BIO provides custom synthesis services for Cloxacillin Benzathine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.