AB00434708-03
TL;DR: AB00434708-03 (CAS 852437-25-3) is a chemical compound with molecular formula C21H25N5O3S and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
Also Known As: AB00434708-03, F0676-0839, 1-(azepan-1-yl)-2-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one, 1-(azepan-1-yl)-2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone, 1-(azepan-1-yl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
| Molecular Formula | C21H25N5O3S |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 3.3032 |
| Topological Polar Surface Area | 81.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.16782 |
| Heavy Atoms | 30 |
| Complexity | 1030.6538 |
Chemical Identifiers
| CAS Number | 852437-25-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCCCC4)OC |
Product Overview
AB00434708-03 (CAS 852437-25-3), with molecular formula C21H25N5O3S and molecular weight 427.17 g/mol. IUPAC: 1-(azepan-1-yl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone.
Chemical Property Profile of AB00434708-03
Property Insights of AB00434708-03
The XLogP value of 3.3032 indicates that AB00434708-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00434708-03. Following Lipinski's Rule of Five, AB00434708-03 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 AB00434708-03?
The CAS number of AB00434708-03 is 852437-25-3.
What is the molecular formula of AB00434708-03?
The molecular formula of AB00434708-03 is C21H25N5O3S.
What is the molecular weight of AB00434708-03?
The molecular weight of AB00434708-03 is 427.17 g/mol.
Where can I buy AB00434708-03?
You can request a quote for AB00434708-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434708-03?
Yes, KEHONG BIO provides custom synthesis services for AB00434708-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.