氟氯西林
TL;DR: 氟氯西林 (CAS 5250-39-5) is a chemical compound with molecular formula C19H17ClFN3O5S and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟氯西林
(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-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: Flucloxacillin, FLOXACILLIN, Floxapen, flucloxacilina, Flucloxacilline
| Molecular Formula | C19H17ClFN3O5S |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.05615 |
| Heavy Atoms | 30 |
| Complexity | 758.0 |
| Solubility | 5.45e-02 g/L |
Chemical Identifiers
| CAS Number | 5250-39-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
| InChIKey | UIOFUWFRIANQPC-JKIFEVAISA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟氯西林 (CAS 5250-39-5), with molecular formula C19H17ClFN3O5S and molecular weight 453.06 g/mol. IUPAC: (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-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 氟氯西林
Property Insights of 氟氯西林
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟氯西林. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟氯西林. Following Lipinski's Rule of Five, 氟氯西林 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 氟氯西林?
The CAS number of 氟氯西林 is 5250-39-5.
What is the molecular formula of 氟氯西林?
The molecular formula of 氟氯西林 is C19H17ClFN3O5S.
What is the molecular weight of 氟氯西林?
The molecular weight of 氟氯西林 is 453.06 g/mol.
Where can I buy 氟氯西林?
You can request a quote for 氟氯西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟氯西林?
Yes, KEHONG BIO provides custom synthesis services for 氟氯西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.