ChemDiv3_012138
TL;DR: ChemDiv3_012138 (CAS 872996-93-5) is a chemical compound with molecular formula C20H19N5O2S2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Also Known As: ChemDiv3_012138, AB01306037-01, BRD-K68287318-001-01-2, N-{2-[6-(BENZYLSULFANYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]ETHYL}BENZENESULFONAMIDE, F2008-0078
| Molecular Formula | C20H19N5O2S2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 2.9376 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.09802 |
| Heavy Atoms | 29 |
| Complexity | 1195.5237 |
Chemical Identifiers
| CAS Number | 872996-93-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN3C(=NN=C3CCNS(=O)(=O)C4=CC=CC=C4)C=C2 |
Product Overview
ChemDiv3_012138 (CAS 872996-93-5), with molecular formula C20H19N5O2S2 and molecular weight 425.10 g/mol. IUPAC: N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide.
Chemical Property Profile of ChemDiv3_012138
Property Insights of ChemDiv3_012138
The XLogP value of 2.9376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012138. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012138. Following Lipinski's Rule of Five, ChemDiv3_012138 has 1 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 ChemDiv3_012138?
The CAS number of ChemDiv3_012138 is 872996-93-5.
What is the molecular formula of ChemDiv3_012138?
The molecular formula of ChemDiv3_012138 is C20H19N5O2S2.
What is the molecular weight of ChemDiv3_012138?
The molecular weight of ChemDiv3_012138 is 425.10 g/mol.
Where can I buy ChemDiv3_012138?
You can request a quote for ChemDiv3_012138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012138?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.