AO-081/40926615
TL;DR: AO-081/40926615 (CAS 497231-68-2) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[3-cyclohexyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: AO-081/40926615, 4-({3-cyclohexyl-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)benzoic acid, 4-[(Z)-[3-cyclohexyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 5.8839 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 1019.73755 |
Chemical Identifiers
| CAS Number | 497231-68-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/S2)C4CCCCC4 |
Product Overview
AO-081/40926615 (CAS 497231-68-2), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: 4-[(Z)-[3-cyclohexyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of AO-081/40926615
Property Insights of AO-081/40926615
The XLogP value of 5.8839 indicates that AO-081/40926615 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40926615. Following Lipinski's Rule of Five, AO-081/40926615 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40926615?
The CAS number of AO-081/40926615 is 497231-68-2.
What is the molecular formula of AO-081/40926615?
The molecular formula of AO-081/40926615 is C25H26N2O3S.
What is the molecular weight of AO-081/40926615?
The molecular weight of AO-081/40926615 is 434.17 g/mol.
Where can I buy AO-081/40926615?
You can request a quote for AO-081/40926615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40926615?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40926615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.