AB00687501-01
TL;DR: AB00687501-01 (CAS 891108-75-1) is a chemical compound with molecular formula C18H12ClN5OS and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
Also Known As: AB00687501-01, F2507-0389, 1-(4-chlorophenyl)-2-((6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone, 1-(4-chlorophenyl)-2-{[6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C18H12ClN5OS |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 3.8147 |
| Topological Polar Surface Area | 73.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0451 |
| Heavy Atoms | 26 |
| Complexity | 1066.0964 |
Chemical Identifiers
| CAS Number | 891108-75-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN3C(=NN=C3SCC(=O)C4=CC=C(C=C4)Cl)C=C2 |
Product Overview
AB00687501-01 (CAS 891108-75-1), with molecular formula C18H12ClN5OS and molecular weight 381.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00687501-01
Property Insights of AB00687501-01
The XLogP value of 3.8147 indicates that AB00687501-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687501-01. Following Lipinski's Rule of Five, AB00687501-01 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 AB00687501-01?
The CAS number of AB00687501-01 is 891108-75-1.
What is the molecular formula of AB00687501-01?
The molecular formula of AB00687501-01 is C18H12ClN5OS.
What is the molecular weight of AB00687501-01?
The molecular weight of AB00687501-01 is 381.05 g/mol.
Where can I buy AB00687501-01?
You can request a quote for AB00687501-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687501-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687501-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.