AO-081/41228367
TL;DR: AO-081/41228367 (CAS 499114-67-9) is a chemical compound with molecular formula C24H17ClN2O5 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: AO-081/41228367, (E)-3-((2-chloro-4-((2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl)phenoxy)methyl)benzoic acid, 3-({2-chloro-4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid, 3-({2-chloro-4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid, 3-[[2-chloro-4-[(2,5-dioxo-1-phenyl-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic Acid
| Molecular Formula | C24H17ClN2O5 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.7145 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0826 |
| Heavy Atoms | 32 |
| Complexity | 1240.1469 |
Chemical Identifiers
| CAS Number | 499114-67-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(=O)O)Cl)/NC2=O |
Product Overview
AO-081/41228367 (CAS 499114-67-9), with molecular formula C24H17ClN2O5 and molecular weight 448.08 g/mol. IUPAC: 3-[[2-chloro-4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of AO-081/41228367
Property Insights of AO-081/41228367
The XLogP value of 4.7145 indicates that AO-081/41228367 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-081/41228367. Following Lipinski's Rule of Five, AO-081/41228367 has 2 hydrogen bond donor(s) and 4 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-081/41228367?
The CAS number of AO-081/41228367 is 499114-67-9.
What is the molecular formula of AO-081/41228367?
The molecular formula of AO-081/41228367 is C24H17ClN2O5.
What is the molecular weight of AO-081/41228367?
The molecular weight of AO-081/41228367 is 448.08 g/mol.
Where can I buy AO-081/41228367?
You can request a quote for AO-081/41228367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41228367?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41228367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.