AB00678486-01
TL;DR: AB00678486-01 (CAS 891117-56-9) is a chemical compound with molecular formula C20H16ClN5OS and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Also Known As: AB00678486-01, F2506-0050, N-(2-chlorobenzyl)-2-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide, N-[(2-chlorophenyl)methyl]-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide, N-[(2-chlorophenyl)methyl]-2-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}sulfanyl)acetamide
| Molecular Formula | C20H16ClN5OS |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 3.8532 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.07642 |
| Heavy Atoms | 28 |
| Complexity | 1116.0021 |
Chemical Identifiers
| CAS Number | 891117-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)NCC4=CC=CC=C4Cl)C=C2 |
Product Overview
AB00678486-01 (CAS 891117-56-9), with molecular formula C20H16ClN5OS and molecular weight 409.08 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00678486-01
Property Insights of AB00678486-01
The XLogP value of 3.8532 indicates that AB00678486-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678486-01. Following Lipinski's Rule of Five, AB00678486-01 has 1 hydrogen bond donor(s) and 5 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 AB00678486-01?
The CAS number of AB00678486-01 is 891117-56-9.
What is the molecular formula of AB00678486-01?
The molecular formula of AB00678486-01 is C20H16ClN5OS.
What is the molecular weight of AB00678486-01?
The molecular weight of AB00678486-01 is 409.08 g/mol.
Where can I buy AB00678486-01?
You can request a quote for AB00678486-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678486-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678486-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.