AB00490233-03
TL;DR: AB00490233-03 (CAS 852372-69-1) is a chemical compound with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Also Known As: AB00490233-03, F0676-0064, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 2.9285 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1211.9789 |
Chemical Identifiers
| CAS Number | 852372-69-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN4C(=NN=C4C5=CC=CC=C5)C=C3 |
Product Overview
AB00490233-03 (CAS 852372-69-1), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00490233-03
Property Insights of AB00490233-03
The XLogP value of 2.9285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00490233-03. The TPSA of 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490233-03. Following Lipinski's Rule of Five, AB00490233-03 has 1 hydrogen bond donor(s) and 7 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 AB00490233-03?
The CAS number of AB00490233-03 is 852372-69-1.
What is the molecular formula of AB00490233-03?
The molecular formula of AB00490233-03 is C21H17N5O3S.
What is the molecular weight of AB00490233-03?
The molecular weight of AB00490233-03 is 419.11 g/mol.
Where can I buy AB00490233-03?
You can request a quote for AB00490233-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00490233-03?
Yes, KEHONG BIO provides custom synthesis services for AB00490233-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.