A4001/0170550
TL;DR: A4001/0170550 (CAS 714290-19-4) is a chemical compound with molecular formula C25H25FN4O6S and molecular weight 528.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-fluoro-7-[4-(furan-2-carbonylcarbamothioyl)-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Also Known As: A4001/0170550, 1-cyclopropyl-6-fluoro-7-[4-(furan-2-carbonylcarbamothioyl)-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6-fluoro-7-(4-((furan-2-carbonyl)carbamothioyl)-3-methylpiperazin-1-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-CYCLOPROPYL-6-FLUORO-7-(4-{[(2-FURYLCARBONYL)AMINO]CARBOTHIOYL}-3-METHYLPIPERAZINO)-8-METHOXY-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID, 1-cyclopropyl-6-fluoro-7-{4-[(furan-2-ylcarbonyl)carbamothioyl]-3-methylpiperazin-1-yl}-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C25H25FN4O6S |
|---|---|
| Molecular Weight | 528.15 g/mol |
| LogP | 3.0007 |
| Topological Polar Surface Area | 117.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.1479 |
| Heavy Atoms | 37 |
| Complexity | 1466.323 |
Chemical Identifiers
| CAS Number | 714290-19-4 |
|---|---|
| SMILES | CC1CN(CCN1C(=S)NC(=O)C2=CC=CO2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F |
Product Overview
A4001/0170550 (CAS 714290-19-4), with molecular formula C25H25FN4O6S and molecular weight 528.15 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-7-[4-(furan-2-carbonylcarbamothioyl)-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A4001/0170550
Property Insights of A4001/0170550
The XLogP value of 3.0007 indicates that A4001/0170550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.25 Ų falls within the moderate polarity range, balancing permeability and solubility for A4001/0170550. Following Lipinski's Rule of Five, A4001/0170550 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4001/0170550?
The CAS number of A4001/0170550 is 714290-19-4.
What is the molecular formula of A4001/0170550?
The molecular formula of A4001/0170550 is C25H25FN4O6S.
What is the molecular weight of A4001/0170550?
The molecular weight of A4001/0170550 is 528.15 g/mol.
Where can I buy A4001/0170550?
You can request a quote for A4001/0170550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4001/0170550?
Yes, KEHONG BIO provides custom synthesis services for A4001/0170550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.