A3415/0144900
TL;DR: A3415/0144900 (CAS 696630-56-5) is a chemical compound with molecular formula C20H23FN4O3S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid
Also Known As: A3415/0144900, 1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-en-1-ylcarbamothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid, 3-quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[4-[(2-propenylamino)thioxomethyl]-1-piperazinyl]-, 7-(4-(allylcarbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C20H23FN4O3S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 2.0412 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1475 |
| Heavy Atoms | 29 |
| Complexity | 1028.5388 |
Chemical Identifiers
| CAS Number | 696630-56-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NCC=C)F)C(=O)O |
Product Overview
A3415/0144900 (CAS 696630-56-5), with molecular formula C20H23FN4O3S and molecular weight 418.15 g/mol. IUPAC: 1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid.
Chemical Property Profile of A3415/0144900
Property Insights of A3415/0144900
The XLogP value of 2.0412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3415/0144900. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A3415/0144900. Following Lipinski's Rule of Five, A3415/0144900 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 A3415/0144900?
The CAS number of A3415/0144900 is 696630-56-5.
What is the molecular formula of A3415/0144900?
The molecular formula of A3415/0144900 is C20H23FN4O3S.
What is the molecular weight of A3415/0144900?
The molecular weight of A3415/0144900 is 418.15 g/mol.
Where can I buy A3415/0144900?
You can request a quote for A3415/0144900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3415/0144900?
Yes, KEHONG BIO provides custom synthesis services for A3415/0144900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.