ChemDiv1_014774
TL;DR: ChemDiv1_014774 (CAS 444336-45-2) is a chemical compound with molecular formula C16H17N3O6S and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-6-[(2-oxoazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
Also Known As: ChemDiv1_014774, 4-Oxo-6-{[(2-oxoazepan-3-yl)amino]sulfonyl}-1,4-dihydroquinoline-3-carboxylic acid, 4-oxo-6-[(2-oxoazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid, 3-quinolinecarboxylic acid, 6-[[(hexahydro-2-oxo-1H-azepin-3-yl)amino]sulfonyl]-1,4-dihydro-4-oxo-
| Molecular Formula | C16H17N3O6S |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 0.1733 |
| Topological Polar Surface Area | 145.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0838 |
| Heavy Atoms | 26 |
| Complexity | 1043.6213 |
Chemical Identifiers
| CAS Number | 444336-45-2 |
|---|---|
| SMILES | C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O |
Product Overview
ChemDiv1_014774 (CAS 444336-45-2), with molecular formula C16H17N3O6S and molecular weight 379.08 g/mol. IUPAC: 4-oxo-6-[(2-oxoazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_014774
Property Insights of ChemDiv1_014774
The XLogP value of 0.1733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014774. The TPSA of 145.43 Ų indicates high polarity, suggesting ChemDiv1_014774 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014774 has 4 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_014774?
The CAS number of ChemDiv1_014774 is 444336-45-2.
What is the molecular formula of ChemDiv1_014774?
The molecular formula of ChemDiv1_014774 is C16H17N3O6S.
What is the molecular weight of ChemDiv1_014774?
The molecular weight of ChemDiv1_014774 is 379.08 g/mol.
Where can I buy ChemDiv1_014774?
You can request a quote for ChemDiv1_014774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014774?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.