A4000/0170498
TL;DR: A4000/0170498 (CAS 714925-36-7) is a chemical compound with molecular formula C21H25FN4O4S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: A4000/0170498, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-4-(methylcarbamothioyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-4-methylthiocarbamoyl-piperazin-1-yl)-4-oxo-1,4-dihydro -quinoline-3-carboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C21H25FN4O4S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 2.1971 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.15805 |
| Heavy Atoms | 31 |
| Complexity | 1130.7856 |
Chemical Identifiers
| CAS Number | 714925-36-7 |
|---|---|
| SMILES | CC1CN(CCN1C(=S)NC)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F |
Product Overview
A4000/0170498 (CAS 714925-36-7), with molecular formula C21H25FN4O4S and molecular weight 448.16 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A4000/0170498
Property Insights of A4000/0170498
The XLogP value of 2.1971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4000/0170498. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A4000/0170498. Following Lipinski's Rule of Five, A4000/0170498 has 2 hydrogen bond donor(s) and 5 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 A4000/0170498?
The CAS number of A4000/0170498 is 714925-36-7.
What is the molecular formula of A4000/0170498?
The molecular formula of A4000/0170498 is C21H25FN4O4S.
What is the molecular weight of A4000/0170498?
The molecular weight of A4000/0170498 is 448.16 g/mol.
Where can I buy A4000/0170498?
You can request a quote for A4000/0170498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4000/0170498?
Yes, KEHONG BIO provides custom synthesis services for A4000/0170498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.