替马沙星
TL;DR: 替马沙星 (CAS 108319-06-8) is a chemical compound with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替马沙星
1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: Temafloxacin, Temafloxacine, Omniflox, Temafloxacinum, Temafloxacina
| Molecular Formula | C21H18F3N3O3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.13004 |
| Heavy Atoms | 30 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 108319-06-8 |
|---|---|
| SMILES | CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F |
| InChIKey | QKDHBVNJCZBTMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
替马沙星 (CAS 108319-06-8), with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol. IUPAC: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 替马沙星
Property Insights of 替马沙星
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 替马沙星. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 替马沙星. Following Lipinski's Rule of Five, 替马沙星 has 2 hydrogen bond donor(s) and 9 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 替马沙星?
The CAS number of 替马沙星 is 108319-06-8.
What is the molecular formula of 替马沙星?
The molecular formula of 替马沙星 is C21H18F3N3O3.
What is the molecular weight of 替马沙星?
The molecular weight of 替马沙星 is 417.13 g/mol.
Where can I buy 替马沙星?
You can request a quote for 替马沙星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替马沙星?
Yes, KEHONG BIO provides custom synthesis services for 替马沙星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.