AO-081/41229225
TL;DR: AO-081/41229225 (CAS 528863-39-0) is a chemical compound with molecular formula C21H19FN2O6 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
Also Known As: AO-081/41229225, 2-(4-{(Z)-[1-(2-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)propanoic acid, 2-[4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid, (Z)-2-(4-((1-(2-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-2-methoxyphenoxy)propanoic acid, 2-(4-{[1-(2-fluorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-2-methoxyphenoxy)propanoic acid
| Molecular Formula | C21H19FN2O6 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.7791 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1227 |
| Heavy Atoms | 30 |
| Complexity | 1035.9067 |
Chemical Identifiers
| CAS Number | 528863-39-0 |
|---|---|
| SMILES | CC(C(=O)O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=CC=C3F)OC |
Product Overview
AO-081/41229225 (CAS 528863-39-0), with molecular formula C21H19FN2O6 and molecular weight 414.12 g/mol. IUPAC: 2-[4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid.
Chemical Property Profile of AO-081/41229225
Property Insights of AO-081/41229225
The XLogP value of 2.7791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/41229225. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41229225. Following Lipinski's Rule of Five, AO-081/41229225 has 2 hydrogen bond donor(s) and 5 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-081/41229225?
The CAS number of AO-081/41229225 is 528863-39-0.
What is the molecular formula of AO-081/41229225?
The molecular formula of AO-081/41229225 is C21H19FN2O6.
What is the molecular weight of AO-081/41229225?
The molecular weight of AO-081/41229225 is 414.12 g/mol.
Where can I buy AO-081/41229225?
You can request a quote for AO-081/41229225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41229225?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41229225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.