AS-871/42093783
TL;DR: AS-871/42093783 (CAS 586989-39-1) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(2-methylphenyl)-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AS-871/42093783, (3Z)-3-[2-(2-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one, (5Z)-2-(2-methylphenyl)-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (Z)-5-(2-oxo-1-propylindolin-3-ylidene)-2-(o-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 3-(2-(2-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-1-propyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 2.80092 |
| Topological Polar Surface Area | 67.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1385.5756 |
Chemical Identifiers
| CAS Number | 586989-39-1 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=N4)C5=CC=CC=C5C)S3)/C1=O |
Product Overview
AS-871/42093783 (CAS 586989-39-1), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: (5Z)-2-(2-methylphenyl)-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of AS-871/42093783
Property Insights of AS-871/42093783
The XLogP value of 2.80092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42093783. The TPSA of 67.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42093783. Following Lipinski's Rule of Five, AS-871/42093783 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 AS-871/42093783?
The CAS number of AS-871/42093783 is 586989-39-1.
What is the molecular formula of AS-871/42093783?
The molecular formula of AS-871/42093783 is C22H18N4O2S.
What is the molecular weight of AS-871/42093783?
The molecular weight of AS-871/42093783 is 402.12 g/mol.
Where can I buy AS-871/42093783?
You can request a quote for AS-871/42093783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42093783?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42093783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.