NCIStruc1_001206
TL;DR: NCIStruc1_001206 (CAS 59708-86-0) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-yl)benzenesulfonamide
Also Known As: NCIStruc1_001206, NCIStruc2_000795, NCI60_003518, 4-methyl-N-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-y, 4-methyl-n-(2-oxo-2,5,6,7-tetrahydro-1h-cyclopenta[b]pyridin-4-yl)benzenesulfonamide
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 59708-86-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)NC3=C2CCC3 |
| InChIKey | FLXLKAGXWDEWAL-UHFFFAOYSA-N |
Product Overview
NCIStruc1_001206 (CAS 59708-86-0), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: 4-methyl-N-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-yl)benzenesulfonamide.
Chemical Property Profile of NCIStruc1_001206
Property Insights of NCIStruc1_001206
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIStruc1_001206. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIStruc1_001206. Following Lipinski's Rule of Five, NCIStruc1_001206 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 NCIStruc1_001206?
The CAS number of NCIStruc1_001206 is 59708-86-0.
What is the molecular formula of NCIStruc1_001206?
The molecular formula of NCIStruc1_001206 is C15H16N2O3S.
What is the molecular weight of NCIStruc1_001206?
The molecular weight of NCIStruc1_001206 is 304.09 g/mol.
Where can I buy NCIStruc1_001206?
You can request a quote for NCIStruc1_001206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001206?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.