AB00684954-01
TL;DR: AB00684954-01 (CAS 852375-73-6) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
Also Known As: AB00684954-01, N-(4-acetylphenyl)-2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide, F0676-0532, N-(4-acetylphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide, N-(4-acetylphenyl)-2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.03312 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1216.7555 |
Chemical Identifiers
| CAS Number | 852375-73-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)C |
Product Overview
AB00684954-01 (CAS 852375-73-6), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684954-01
Property Insights of AB00684954-01
The XLogP value of 4.03312 indicates that AB00684954-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684954-01. Following Lipinski's Rule of Five, AB00684954-01 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 AB00684954-01?
The CAS number of AB00684954-01 is 852375-73-6.
What is the molecular formula of AB00684954-01?
The molecular formula of AB00684954-01 is C22H19N5O2S.
What is the molecular weight of AB00684954-01?
The molecular weight of AB00684954-01 is 417.13 g/mol.
Where can I buy AB00684954-01?
You can request a quote for AB00684954-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684954-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684954-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.