AB00491101-03
TL;DR: AB00491101-03 (CAS 852375-38-3) is a chemical compound with molecular formula C22H19N5OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
Also Known As: AB00491101-03, F0676-0488, 1-(indolin-1-yl)-2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone, 1-(2,3-dihydro-1H-indol-1-yl)-2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one, 1-(2,3-dihydroindol-1-yl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.78112 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.13104 |
| Heavy Atoms | 29 |
| Complexity | 1201.5397 |
Chemical Identifiers
| CAS Number | 852375-38-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
AB00491101-03 (CAS 852375-38-3), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]ethanone.
Chemical Property Profile of AB00491101-03
Property Insights of AB00491101-03
The XLogP value of 3.78112 indicates that AB00491101-03 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 AB00491101-03. Following Lipinski's Rule of Five, AB00491101-03 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 AB00491101-03?
The CAS number of AB00491101-03 is 852375-38-3.
What is the molecular formula of AB00491101-03?
The molecular formula of AB00491101-03 is C22H19N5OS.
What is the molecular weight of AB00491101-03?
The molecular weight of AB00491101-03 is 401.13 g/mol.
Where can I buy AB00491101-03?
You can request a quote for AB00491101-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00491101-03?
Yes, KEHONG BIO provides custom synthesis services for AB00491101-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.