AB00114541-01
TL;DR: AB00114541-01 (CAS 431068-89-2) is a chemical compound with molecular formula C20H15Cl2NO5 and molecular weight 419.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-2-(4-chlorophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid
Also Known As: AB00114541-01, 3-[2-(4-chlorophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid, 3-[3-(4-chlorobenzoyl)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid, 3-(3-(4-chlorobenzoyl)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid, 3-[(3E)-2-(4-chlorophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid
| Molecular Formula | C20H15Cl2NO5 |
|---|---|
| Molecular Weight | 419.03 g/mol |
| LogP | 3.8898 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.0327 |
| Heavy Atoms | 28 |
| Complexity | 967.0955 |
Chemical Identifiers
| CAS Number | 431068-89-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCC(=O)O)Cl |
Product Overview
AB00114541-01 (CAS 431068-89-2), with molecular formula C20H15Cl2NO5 and molecular weight 419.03 g/mol. IUPAC: 3-[(3E)-2-(4-chlorophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid.
Chemical Property Profile of AB00114541-01
Property Insights of AB00114541-01
The XLogP value of 3.8898 indicates that AB00114541-01 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 AB00114541-01. Following Lipinski's Rule of Five, AB00114541-01 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 AB00114541-01?
The CAS number of AB00114541-01 is 431068-89-2.
What is the molecular formula of AB00114541-01?
The molecular formula of AB00114541-01 is C20H15Cl2NO5.
What is the molecular weight of AB00114541-01?
The molecular weight of AB00114541-01 is 419.03 g/mol.
Where can I buy AB00114541-01?
You can request a quote for AB00114541-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114541-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114541-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.