BAS 00463356
TL;DR: BAS 00463356 (CAS 332410-06-7) is a chemical compound with molecular formula C17H19FN4O3S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: BAS 00463356, AB00077575-01, 7-[4-(Aminocarbonothioyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C17H19FN4O3S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 1.2243 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.11618 |
| Heavy Atoms | 26 |
| Complexity | 951.15405 |
Chemical Identifiers
| CAS Number | 332410-06-7 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)N)F)C(=O)O |
Product Overview
BAS 00463356 (CAS 332410-06-7), with molecular formula C17H19FN4O3S and molecular weight 378.12 g/mol. IUPAC: 7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of BAS 00463356
Property Insights of BAS 00463356
The XLogP value of 1.2243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00463356. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00463356. Following Lipinski's Rule of Five, BAS 00463356 has 2 hydrogen bond donor(s) and 4 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 BAS 00463356?
The CAS number of BAS 00463356 is 332410-06-7.
What is the molecular formula of BAS 00463356?
The molecular formula of BAS 00463356 is C17H19FN4O3S.
What is the molecular weight of BAS 00463356?
The molecular weight of BAS 00463356 is 378.12 g/mol.
Where can I buy BAS 00463356?
You can request a quote for BAS 00463356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00463356?
Yes, KEHONG BIO provides custom synthesis services for BAS 00463356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.