ChemDiv3_012969
TL;DR: ChemDiv3_012969 (CAS 317329-41-2) is a chemical compound with molecular formula C14H13N3O5S and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: ChemDiv3_012969, 6-{[(2-Cyanoethyl)(methyl)amino]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid, BRD-K41982766-001-01-7, 3-quinolinecarboxylic acid, 6-[[(2-cyanoethyl)methylamino]sulfonyl]-1,4-dihydro-4-oxo-
| Molecular Formula | C14H13N3O5S |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 0.76048 |
| Topological Polar Surface Area | 131.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0576 |
| Heavy Atoms | 23 |
| Complexity | 972.0508 |
Chemical Identifiers
| CAS Number | 317329-41-2 |
|---|---|
| SMILES | CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)O |
Product Overview
ChemDiv3_012969 (CAS 317329-41-2), with molecular formula C14H13N3O5S and molecular weight 335.06 g/mol. IUPAC: 6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of ChemDiv3_012969
Property Insights of ChemDiv3_012969
The XLogP value of 0.76048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012969. The TPSA of 131.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012969. Following Lipinski's Rule of Five, ChemDiv3_012969 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 ChemDiv3_012969?
The CAS number of ChemDiv3_012969 is 317329-41-2.
What is the molecular formula of ChemDiv3_012969?
The molecular formula of ChemDiv3_012969 is C14H13N3O5S.
What is the molecular weight of ChemDiv3_012969?
The molecular weight of ChemDiv3_012969 is 335.06 g/mol.
Where can I buy ChemDiv3_012969?
You can request a quote for ChemDiv3_012969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012969?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.