A3950/0168238
TL;DR: A3950/0168238 (CAS 889953-48-4) is a chemical compound with molecular formula C33H33FN4O6S2 and molecular weight 664.18 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-[4-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl]-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: A3950/0168238, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[4-[[[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino]thioxomethyl]-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid, 1-CYCLOPROPYL-6-FLUORO-8-METHOXY-7-[4-({[3-(METHOXYCARBONYL)-4-(4-METHYLPHENYL)-2-THIENYL]AMINO}CARBOTHIOYL)-3-METHYLPIPERAZINO]-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID, 1-cyclopropyl-6-fluoro-8-methoxy-7-[4-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl]-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C33H33FN4O6S2 |
|---|---|
| Molecular Weight | 664.18 g/mol |
| LogP | 5.91332 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 664.18256 |
| Heavy Atoms | 46 |
| Complexity | 1935.296 |
Chemical Identifiers
| CAS Number | 889953-48-4 |
|---|---|
| SMILES | CC1CN(CCN1C(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F |
Product Overview
A3950/0168238 (CAS 889953-48-4), with molecular formula C33H33FN4O6S2 and molecular weight 664.18 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-8-methoxy-7-[4-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl]-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A3950/0168238
Property Insights of A3950/0168238
The XLogP value of 5.91332 indicates that A3950/0168238 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A3950/0168238. Following Lipinski's Rule of Five, A3950/0168238 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3950/0168238?
The CAS number of A3950/0168238 is 889953-48-4.
What is the molecular formula of A3950/0168238?
The molecular formula of A3950/0168238 is C33H33FN4O6S2.
What is the molecular weight of A3950/0168238?
The molecular weight of A3950/0168238 is 664.18 g/mol.
Where can I buy A3950/0168238?
You can request a quote for A3950/0168238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3950/0168238?
Yes, KEHONG BIO provides custom synthesis services for A3950/0168238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.