AS-871/42093789
TL;DR: AS-871/42093789 (CAS 577981-38-5) is a chemical compound with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AS-871/42093789, (3Z)-1-butyl-3-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one, (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (Z)-5-(1-butyl-2-oxoindolin-3-ylidene)-2-(3,4,5-trimethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 1-butyl-3-(6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C25H24N4O5S |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 2.9084 |
| Topological Polar Surface Area | 95.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.14673 |
| Heavy Atoms | 35 |
| Complexity | 1532.8198 |
Chemical Identifiers
| CAS Number | 577981-38-5 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=N4)C5=CC(=C(C(=C5)OC)OC)OC)S3)/C1=O |
Product Overview
AS-871/42093789 (CAS 577981-38-5), with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol. IUPAC: (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of AS-871/42093789
Property Insights of AS-871/42093789
The XLogP value of 2.9084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42093789. The TPSA of 95.26 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42093789. Following Lipinski's Rule of Five, AS-871/42093789 has 0 hydrogen bond donor(s) and 8 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-871/42093789?
The CAS number of AS-871/42093789 is 577981-38-5.
What is the molecular formula of AS-871/42093789?
The molecular formula of AS-871/42093789 is C25H24N4O5S.
What is the molecular weight of AS-871/42093789?
The molecular weight of AS-871/42093789 is 492.15 g/mol.
Where can I buy AS-871/42093789?
You can request a quote for AS-871/42093789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42093789?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42093789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.