AB00684943-01
TL;DR: AB00684943-01 (CAS 852373-04-7) is a chemical compound with molecular formula C19H20ClN5OS and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: AB00684943-01, F0676-0127, 2-{[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one, 2-((3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C19H20ClN5OS |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 3.7953 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1077 |
| Heavy Atoms | 27 |
| Complexity | 950.3934 |
Chemical Identifiers
| CAS Number | 852373-04-7 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)Cl)C=C2 |
Product Overview
AB00684943-01 (CAS 852373-04-7), with molecular formula C19H20ClN5OS and molecular weight 401.11 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of AB00684943-01
Property Insights of AB00684943-01
The XLogP value of 3.7953 indicates that AB00684943-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684943-01. Following Lipinski's Rule of Five, AB00684943-01 has 0 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 AB00684943-01?
The CAS number of AB00684943-01 is 852373-04-7.
What is the molecular formula of AB00684943-01?
The molecular formula of AB00684943-01 is C19H20ClN5OS.
What is the molecular weight of AB00684943-01?
The molecular weight of AB00684943-01 is 401.11 g/mol.
Where can I buy AB00684943-01?
You can request a quote for AB00684943-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684943-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684943-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.