AB00491127-03
TL;DR: AB00491127-03 (CAS 852373-08-1) is a chemical compound with molecular formula C21H16ClN5OS and molecular weight 421.08 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-(2,3-dihydroindol-1-yl)ethanone
Also Known As: AB00491127-03, F0676-0131, 2-((3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(indolin-1-yl)ethanone, 2-{[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one, 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
| Molecular Formula | C21H16ClN5OS |
|---|---|
| Molecular Weight | 421.08 g/mol |
| LogP | 4.1261 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.07642 |
| Heavy Atoms | 29 |
| Complexity | 1207.4084 |
Chemical Identifiers
| CAS Number | 852373-08-1 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)Cl)C=C3 |
Product Overview
AB00491127-03 (CAS 852373-08-1), with molecular formula C21H16ClN5OS and molecular weight 421.08 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.
Chemical Property Profile of AB00491127-03
Property Insights of AB00491127-03
The XLogP value of 4.1261 indicates that AB00491127-03 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 AB00491127-03. Following Lipinski's Rule of Five, AB00491127-03 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 AB00491127-03?
The CAS number of AB00491127-03 is 852373-08-1.
What is the molecular formula of AB00491127-03?
The molecular formula of AB00491127-03 is C21H16ClN5OS.
What is the molecular weight of AB00491127-03?
The molecular weight of AB00491127-03 is 421.08 g/mol.
Where can I buy AB00491127-03?
You can request a quote for AB00491127-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00491127-03?
Yes, KEHONG BIO provides custom synthesis services for AB00491127-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.