AO-081/41227496
TL;DR: AO-081/41227496 (CAS 499114-33-9) is a chemical compound with molecular formula C29H21FN2O5 and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzoic acid
Also Known As: AO-081/41227496, 4-{[(1-{(E)-[1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}naphthalen-2-yl)oxy]methyl}benzoic acid, 4-{[(1-{[1-(4-fluorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-2-naphthyl)oxy]methyl}benzoic acid, (E)-4-(((1-((1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)naphthalen-2-yl)oxy)methyl)benzoic acid, 4-[[1-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzoic acid
| Molecular Formula | C29H21FN2O5 |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 5.349 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.14346 |
| Heavy Atoms | 37 |
| Complexity | 1545.3788 |
Chemical Identifiers
| CAS Number | 499114-33-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F)OCC5=CC=C(C=C5)C(=O)O |
Product Overview
AO-081/41227496 (CAS 499114-33-9), with molecular formula C29H21FN2O5 and molecular weight 496.14 g/mol. IUPAC: 4-[[1-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzoic acid.
Chemical Property Profile of AO-081/41227496
Property Insights of AO-081/41227496
The XLogP value of 5.349 indicates that AO-081/41227496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41227496. Following Lipinski's Rule of Five, AO-081/41227496 has 2 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-081/41227496?
The CAS number of AO-081/41227496 is 499114-33-9.
What is the molecular formula of AO-081/41227496?
The molecular formula of AO-081/41227496 is C29H21FN2O5.
What is the molecular weight of AO-081/41227496?
The molecular weight of AO-081/41227496 is 496.14 g/mol.
Where can I buy AO-081/41227496?
You can request a quote for AO-081/41227496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41227496?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41227496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.