ChemDiv1_015393
TL;DR: ChemDiv1_015393 (CAS 312921-69-0) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: ChemDiv1_015393, 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid, 6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 1.6469 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 956.08185 |
Chemical Identifiers
| CAS Number | 312921-69-0 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O |
Product Overview
ChemDiv1_015393 (CAS 312921-69-0), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_015393
Property Insights of ChemDiv1_015393
The XLogP value of 1.6469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_015393. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015393. Following Lipinski's Rule of Five, ChemDiv1_015393 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 ChemDiv1_015393?
The CAS number of ChemDiv1_015393 is 312921-69-0.
What is the molecular formula of ChemDiv1_015393?
The molecular formula of ChemDiv1_015393 is C16H18N2O5S.
What is the molecular weight of ChemDiv1_015393?
The molecular weight of ChemDiv1_015393 is 350.09 g/mol.
Where can I buy ChemDiv1_015393?
You can request a quote for ChemDiv1_015393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015393?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.