ChemDiv1_014556
TL;DR: ChemDiv1_014556 (CAS 317329-43-4) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: ChemDiv1_014556, 6-{[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 6-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid, 1,4-Dihydro-6-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]-4-oxo-3-quinolinecarboxylic acid, 6-[3-Methyl-4-(4-methylphenyl)piperazine-1-sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 2.43412 |
| Topological Polar Surface Area | 110.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 1315.221 |
Chemical Identifiers
| CAS Number | 317329-43-4 |
|---|---|
| SMILES | CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O |
Product Overview
ChemDiv1_014556 (CAS 317329-43-4), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: 6-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_014556
Property Insights of ChemDiv1_014556
The XLogP value of 2.43412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014556. The TPSA of 110.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014556. Following Lipinski's Rule of Five, ChemDiv1_014556 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 ChemDiv1_014556?
The CAS number of ChemDiv1_014556 is 317329-43-4.
What is the molecular formula of ChemDiv1_014556?
The molecular formula of ChemDiv1_014556 is C22H23N3O5S.
What is the molecular weight of ChemDiv1_014556?
The molecular weight of ChemDiv1_014556 is 441.14 g/mol.
Where can I buy ChemDiv1_014556?
You can request a quote for ChemDiv1_014556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014556?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.