ChemDiv1_005973
TL;DR: ChemDiv1_005973 (CAS 337505-13-2) is a chemical compound with molecular formula C19H20N4O3S2 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: ChemDiv1_005973, BAS 01377458, BIM-0039948.P001, A2325/0098077, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C19H20N4O3S2 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.60038 |
| Topological Polar Surface Area | 125.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0977 |
| Heavy Atoms | 28 |
| Complexity | 1028.3796 |
Chemical Identifiers
| CAS Number | 337505-13-2 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C#N |
Product Overview
ChemDiv1_005973 (CAS 337505-13-2), with molecular formula C19H20N4O3S2 and molecular weight 416.10 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_005973
Property Insights of ChemDiv1_005973
The XLogP value of 2.60038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005973. The TPSA of 125.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005973. Following Lipinski's Rule of Five, ChemDiv1_005973 has 2 hydrogen bond donor(s) and 6 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_005973?
The CAS number of ChemDiv1_005973 is 337505-13-2.
What is the molecular formula of ChemDiv1_005973?
The molecular formula of ChemDiv1_005973 is C19H20N4O3S2.
What is the molecular weight of ChemDiv1_005973?
The molecular weight of ChemDiv1_005973 is 416.10 g/mol.
Where can I buy ChemDiv1_005973?
You can request a quote for ChemDiv1_005973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005973?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.