AO-081/40675880
TL;DR: AO-081/40675880 (CAS 431923-74-9) is a chemical compound with molecular formula C27H22N2O5S and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(2,4-dihydroxyphenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AO-081/40675880, ethyl (2Z)-2-(2,4-dihydroxybenzylidene)-7-methyl-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[(2,4-dihydroxyphenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-(2,4-dihydroxybenzylidene)-7-methyl-5-(naphthalen-1-yl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(2,4-dihydroxybenzylidene)-7-methyl-5-(1-naphthyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H22N2O5S |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 3.3627 |
| Topological Polar Surface Area | 101.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.12494 |
| Heavy Atoms | 35 |
| Complexity | 1691.5427 |
Chemical Identifiers
| CAS Number | 431923-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)/C(=C/C5=C(C=C(C=C5)O)O)/S2)C |
Product Overview
AO-081/40675880 (CAS 431923-74-9), with molecular formula C27H22N2O5S and molecular weight 486.12 g/mol. IUPAC: ethyl (2Z)-2-[(2,4-dihydroxyphenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AO-081/40675880
Property Insights of AO-081/40675880
The XLogP value of 3.3627 indicates that AO-081/40675880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40675880. Following Lipinski's Rule of Five, AO-081/40675880 has 2 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 AO-081/40675880?
The CAS number of AO-081/40675880 is 431923-74-9.
What is the molecular formula of AO-081/40675880?
The molecular formula of AO-081/40675880 is C27H22N2O5S.
What is the molecular weight of AO-081/40675880?
The molecular weight of AO-081/40675880 is 486.12 g/mol.
Where can I buy AO-081/40675880?
You can request a quote for AO-081/40675880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40675880?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40675880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.