AO-081/40694800
TL;DR: AO-081/40694800 (CAS 431076-57-2) is a chemical compound with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(2-ethoxy-3-methoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AO-081/40694800, ethyl 5-(2-ethoxy-3-methoxyphenyl)-2-(2-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-5-(2-ethoxy-3-methoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H26N2O6S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 2.9112 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.15115 |
| Heavy Atoms | 35 |
| Complexity | 1484.1814 |
Chemical Identifiers
| CAS Number | 431076-57-2 |
|---|---|
| SMILES | CCOC1=C(C=CC=C1OC)C2C(=C(N=C3N2C(=O)/C(=C\C4=CC=CC=C4O)/S3)C)C(=O)OCC |
Product Overview
AO-081/40694800 (CAS 431076-57-2), with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol. IUPAC: ethyl (2E)-5-(2-ethoxy-3-methoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AO-081/40694800
Property Insights of AO-081/40694800
The XLogP value of 2.9112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40694800. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40694800. Following Lipinski's Rule of Five, AO-081/40694800 has 1 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 AO-081/40694800?
The CAS number of AO-081/40694800 is 431076-57-2.
What is the molecular formula of AO-081/40694800?
The molecular formula of AO-081/40694800 is C26H26N2O6S.
What is the molecular weight of AO-081/40694800?
The molecular weight of AO-081/40694800 is 494.15 g/mol.
Where can I buy AO-081/40694800?
You can request a quote for AO-081/40694800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40694800?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40694800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.