AB00687492-01
TL;DR: AB00687492-01 (CAS 894065-55-5) is a chemical compound with molecular formula C20H14N4O3S and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-phenylethanone
Also Known As: AB00687492-01, F2506-1438, 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-phenylethan-1-one, 2-((6-(benzo[d][1,3]dioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-1-phenylethanone, 2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C20H14N4O3S |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 3.495 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.07867 |
| Heavy Atoms | 28 |
| Complexity | 1176.7682 |
Chemical Identifiers
| CAS Number | 894065-55-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NN=C4SCC(=O)C5=CC=CC=C5)C=C3 |
Product Overview
AB00687492-01 (CAS 894065-55-5), with molecular formula C20H14N4O3S and molecular weight 390.08 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of AB00687492-01
Property Insights of AB00687492-01
The XLogP value of 3.495 indicates that AB00687492-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687492-01. Following Lipinski's Rule of Five, AB00687492-01 has 0 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 AB00687492-01?
The CAS number of AB00687492-01 is 894065-55-5.
What is the molecular formula of AB00687492-01?
The molecular formula of AB00687492-01 is C20H14N4O3S.
What is the molecular weight of AB00687492-01?
The molecular weight of AB00687492-01 is 390.08 g/mol.
Where can I buy AB00687492-01?
You can request a quote for AB00687492-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687492-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687492-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.