AQ-149/13889980
TL;DR: AQ-149/13889980 (CAS 440091-86-1) is a chemical compound with molecular formula C22H19Cl2NO5 and molecular weight 447.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: AQ-149/13889980, 4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, 4-(2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid, 4-{(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid
| Molecular Formula | C22H19Cl2NO5 |
|---|---|
| Molecular Weight | 447.06 g/mol |
| LogP | 4.58832 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.06403 |
| Heavy Atoms | 30 |
| Complexity | 1045.9934 |
Chemical Identifiers
| CAS Number | 440091-86-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=C(C=C(C=C3)Cl)Cl)/O |
Product Overview
AQ-149/13889980 (CAS 440091-86-1), with molecular formula C22H19Cl2NO5 and molecular weight 447.06 g/mol. IUPAC: 4-[(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of AQ-149/13889980
Property Insights of AQ-149/13889980
The XLogP value of 4.58832 indicates that AQ-149/13889980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/13889980. Following Lipinski's Rule of Five, AQ-149/13889980 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 AQ-149/13889980?
The CAS number of AQ-149/13889980 is 440091-86-1.
What is the molecular formula of AQ-149/13889980?
The molecular formula of AQ-149/13889980 is C22H19Cl2NO5.
What is the molecular weight of AQ-149/13889980?
The molecular weight of AQ-149/13889980 is 447.06 g/mol.
Where can I buy AQ-149/13889980?
You can request a quote for AQ-149/13889980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-149/13889980?
Yes, KEHONG BIO provides custom synthesis services for AQ-149/13889980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.