AS-871/42094232
TL;DR: AS-871/42094232 (CAS 587003-79-0) is a chemical compound with molecular formula C21H14N4O5S and molecular weight 434.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-3-[2-(2-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-2-oxoindol-1-yl]acetic acid
Also Known As: AS-871/42094232, {(3Z)-3-[2-(2-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid, (Z)-2-(3-(2-(2-methoxyphenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-2-oxoindolin-1-yl)acetic acid, [3-(2-(2-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid, 2-[(3Z)-3-[2-(2-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-2-oxoindol-1-yl]acetic acid
| Molecular Formula | C21H14N4O5S |
|---|---|
| Molecular Weight | 434.07 g/mol |
| LogP | 1.1757 |
| Topological Polar Surface Area | 114.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.06848 |
| Heavy Atoms | 31 |
| Complexity | 1489.2002 |
Chemical Identifiers
| CAS Number | 587003-79-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)CC(=O)O)/SC3=N2 |
Product Overview
AS-871/42094232 (CAS 587003-79-0), with molecular formula C21H14N4O5S and molecular weight 434.07 g/mol. IUPAC: 2-[(3Z)-3-[2-(2-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-2-oxoindol-1-yl]acetic acid.
Chemical Property Profile of AS-871/42094232
Property Insights of AS-871/42094232
The XLogP value of 1.1757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42094232. The TPSA of 114.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42094232. Following Lipinski's Rule of Five, AS-871/42094232 has 1 hydrogen bond donor(s) and 7 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-871/42094232?
The CAS number of AS-871/42094232 is 587003-79-0.
What is the molecular formula of AS-871/42094232?
The molecular formula of AS-871/42094232 is C21H14N4O5S.
What is the molecular weight of AS-871/42094232?
The molecular weight of AS-871/42094232 is 434.07 g/mol.
Where can I buy AS-871/42094232?
You can request a quote for AS-871/42094232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42094232?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42094232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.