ChemDiv3_012182
TL;DR: ChemDiv3_012182 (CAS 872997-56-3) is a chemical compound with molecular formula C15H14N6O2S2 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-(cyanomethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
Also Known As: ChemDiv3_012182, BRD-K39269048-001-01-3, F2008-0109, N-(2-{6-[(CYANOMETHYL)SULFANYL]-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL}ETHYL)BENZENESULFONAMIDE, N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzenesulfonamide
| Molecular Formula | C15H14N6O2S2 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 1.26098 |
| Topological Polar Surface Area | 113.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.06198 |
| Heavy Atoms | 25 |
| Complexity | 1011.4277 |
Chemical Identifiers
| CAS Number | 872997-56-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C3N2N=C(C=C3)SCC#N |
Product Overview
ChemDiv3_012182 (CAS 872997-56-3), with molecular formula C15H14N6O2S2 and molecular weight 374.06 g/mol. IUPAC: N-[2-[6-(cyanomethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide.
Chemical Property Profile of ChemDiv3_012182
Property Insights of ChemDiv3_012182
The XLogP value of 1.26098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012182. The TPSA of 113.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012182. Following Lipinski's Rule of Five, ChemDiv3_012182 has 1 hydrogen bond donor(s) and 7 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_012182?
The CAS number of ChemDiv3_012182 is 872997-56-3.
What is the molecular formula of ChemDiv3_012182?
The molecular formula of ChemDiv3_012182 is C15H14N6O2S2.
What is the molecular weight of ChemDiv3_012182?
The molecular weight of ChemDiv3_012182 is 374.06 g/mol.
Where can I buy ChemDiv3_012182?
You can request a quote for ChemDiv3_012182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012182?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.