AO-081/40694688
TL;DR: AO-081/40694688 (CAS 498533-33-8) is a chemical compound with molecular formula C30H34N2O6S and molecular weight 550.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(2-ethoxy-3-methoxyphenyl)-7-methyl-2-[[4-(2-methylpropoxy)phenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AO-081/40694688, ethyl (2Z)-5-(2-ethoxy-3-methoxyphenyl)-7-methyl-2-[4-(2-methylpropoxy)benzylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(2-ethoxy-3-methoxyphenyl)-2-(4-isobutoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(2-ethoxy-3-methoxyphenyl)-7-methyl-2-[[4-(2-methylpropoxy)phenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C30H34N2O6S |
|---|---|
| Molecular Weight | 550.21 g/mol |
| LogP | 4.2404 |
| Topological Polar Surface Area | 88.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.21375 |
| Heavy Atoms | 39 |
| Complexity | 1549.4382 |
Chemical Identifiers
| CAS Number | 498533-33-8 |
|---|---|
| SMILES | CCOC1=C(C=CC=C1OC)C2C(=C(N=C3N2C(=O)/C(=C/C4=CC=C(C=C4)OCC(C)C)/S3)C)C(=O)OCC |
Product Overview
AO-081/40694688 (CAS 498533-33-8), with molecular formula C30H34N2O6S and molecular weight 550.21 g/mol. IUPAC: ethyl (2Z)-5-(2-ethoxy-3-methoxyphenyl)-7-methyl-2-[[4-(2-methylpropoxy)phenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AO-081/40694688
Property Insights of AO-081/40694688
The XLogP value of 4.2404 indicates that AO-081/40694688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40694688. Following Lipinski's Rule of Five, AO-081/40694688 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40694688?
The CAS number of AO-081/40694688 is 498533-33-8.
What is the molecular formula of AO-081/40694688?
The molecular formula of AO-081/40694688 is C30H34N2O6S.
What is the molecular weight of AO-081/40694688?
The molecular weight of AO-081/40694688 is 550.21 g/mol.
Where can I buy AO-081/40694688?
You can request a quote for AO-081/40694688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40694688?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40694688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.