双氯西林
TL;DR: 双氯西林 (CAS 3116-76-5) is a chemical compound with molecular formula C19H17Cl2N3O5S and molecular weight 469.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双氯西林
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
Also Known As: dicloxacillin, Dicloxacycline, Maclicine, Dicloxacillin sodium, BRL 1702
| Molecular Formula | C19H17Cl2N3O5S |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.0266 |
| Heavy Atoms | 30 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 3116-76-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
| InChIKey | YFAGHNZHGGCZAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双氯西林 (CAS 3116-76-5), with molecular formula C19H17Cl2N3O5S and molecular weight 469.03 g/mol. IUPAC: 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.
Chemical Property Profile of 双氯西林
Property Insights of 双氯西林
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双氯西林. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双氯西林. Following Lipinski's Rule of Five, 双氯西林 has 2 hydrogen bond donor(s) and 7 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 双氯西林?
The CAS number of 双氯西林 is 3116-76-5.
What is the molecular formula of 双氯西林?
The molecular formula of 双氯西林 is C19H17Cl2N3O5S.
What is the molecular weight of 双氯西林?
The molecular weight of 双氯西林 is 469.03 g/mol.
Where can I buy 双氯西林?
You can request a quote for 双氯西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双氯西林?
Yes, KEHONG BIO provides custom synthesis services for 双氯西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.