AB00672103-01
TL;DR: AB00672103-01 (CAS 852376-97-7) is a chemical compound with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: AB00672103-01, F0676-0722, 2-{[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one, 2-((3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C21H25N5O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.5406 |
| Topological Polar Surface Area | 72.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.17288 |
| Heavy Atoms | 29 |
| Complexity | 980.4051 |
Chemical Identifiers
| CAS Number | 852376-97-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCC(CC4)C |
Product Overview
AB00672103-01 (CAS 852376-97-7), with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of AB00672103-01
Property Insights of AB00672103-01
The XLogP value of 3.5406 indicates that AB00672103-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672103-01. Following Lipinski's Rule of Five, AB00672103-01 has 0 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 AB00672103-01?
The CAS number of AB00672103-01 is 852376-97-7.
What is the molecular formula of AB00672103-01?
The molecular formula of AB00672103-01 is C21H25N5O2S.
What is the molecular weight of AB00672103-01?
The molecular weight of AB00672103-01 is 411.17 g/mol.
Where can I buy AB00672103-01?
You can request a quote for AB00672103-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672103-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672103-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.