ChemDiv2_008564
TL;DR: ChemDiv2_008564 (CAS 434907-99-0) is a chemical compound with molecular formula C17H13FN2O5S and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: ChemDiv2_008564, 6-{[(4-fluorophenyl)(methyl)amino]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid, 3-quinolinecarboxylic acid, 6-[[(4-fluorophenyl)methylamino]sulfonyl]-1,4-dihydro-4-oxo-, 6-[(4-Fluorophenyl)methylsulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid
| Molecular Formula | C17H13FN2O5S |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 2.1905 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.05292 |
| Heavy Atoms | 26 |
| Complexity | 1169.9727 |
Chemical Identifiers
| CAS Number | 434907-99-0 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O |
Product Overview
ChemDiv2_008564 (CAS 434907-99-0), with molecular formula C17H13FN2O5S and molecular weight 376.05 g/mol. IUPAC: 6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of ChemDiv2_008564
Property Insights of ChemDiv2_008564
The XLogP value of 2.1905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_008564. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008564. Following Lipinski's Rule of Five, ChemDiv2_008564 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 ChemDiv2_008564?
The CAS number of ChemDiv2_008564 is 434907-99-0.
What is the molecular formula of ChemDiv2_008564?
The molecular formula of ChemDiv2_008564 is C17H13FN2O5S.
What is the molecular weight of ChemDiv2_008564?
The molecular weight of ChemDiv2_008564 is 376.05 g/mol.
Where can I buy ChemDiv2_008564?
You can request a quote for ChemDiv2_008564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008564?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.