AB00672036-01
TL;DR: AB00672036-01 (CAS 852375-48-5) is a chemical compound with molecular formula C22H21N5OS and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
Also Known As: AB00672036-01, F0676-0500, N-(4-ethylphenyl)-2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide, N-(4-ethylphenyl)-2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide, N-(4-ethylphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
| Molecular Formula | C22H21N5OS |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 4.39292 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.14667 |
| Heavy Atoms | 29 |
| Complexity | 1136.3064 |
Chemical Identifiers
| CAS Number | 852375-48-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)C)C=C2 |
Product Overview
AB00672036-01 (CAS 852375-48-5), with molecular formula C22H21N5OS and molecular weight 403.15 g/mol. IUPAC: N-(4-ethylphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00672036-01
Property Insights of AB00672036-01
The XLogP value of 4.39292 indicates that AB00672036-01 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 AB00672036-01. Following Lipinski's Rule of Five, AB00672036-01 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 AB00672036-01?
The CAS number of AB00672036-01 is 852375-48-5.
What is the molecular formula of AB00672036-01?
The molecular formula of AB00672036-01 is C22H21N5OS.
What is the molecular weight of AB00672036-01?
The molecular weight of AB00672036-01 is 403.15 g/mol.
Where can I buy AB00672036-01?
You can request a quote for AB00672036-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672036-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672036-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.