AB00687498-01
TL;DR: AB00687498-01 (CAS 891107-74-7) is a chemical compound with molecular formula C19H15ClN6OS and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
Also Known As: AB00687498-01, F2507-0365, N-[(2-chlorophenyl)methyl]-2-{[6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide, N-(2-chlorobenzyl)-2-((6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide, N-[(2-chlorophenyl)methyl]-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H15ClN6OS |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.2482 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.07166 |
| Heavy Atoms | 28 |
| Complexity | 1117.83 |
Chemical Identifiers
| CAS Number | 891107-74-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CN=CC=C4)Cl |
Product Overview
AB00687498-01 (CAS 891107-74-7), with molecular formula C19H15ClN6OS and molecular weight 410.07 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00687498-01
Property Insights of AB00687498-01
The XLogP value of 3.2482 indicates that AB00687498-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687498-01. Following Lipinski's Rule of Five, AB00687498-01 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 AB00687498-01?
The CAS number of AB00687498-01 is 891107-74-7.
What is the molecular formula of AB00687498-01?
The molecular formula of AB00687498-01 is C19H15ClN6OS.
What is the molecular weight of AB00687498-01?
The molecular weight of AB00687498-01 is 410.07 g/mol.
Where can I buy AB00687498-01?
You can request a quote for AB00687498-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687498-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687498-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.