AO-022/43452907
TL;DR: AO-022/43452907 (CAS 489403-55-6) is a chemical compound with molecular formula C25H18BrNO5 and molecular weight 491.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: AO-022/43452907, 3-[2-(4-bromophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, 3-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid, 3-{(3E)-2-(4-bromophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoic acid
| Molecular Formula | C25H18BrNO5 |
|---|---|
| Molecular Weight | 491.04 g/mol |
| LogP | 5.08202 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.03683 |
| Heavy Atoms | 32 |
| Complexity | 1262.2496 |
Chemical Identifiers
| CAS Number | 489403-55-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Br)/O |
Product Overview
AO-022/43452907 (CAS 489403-55-6), with molecular formula C25H18BrNO5 and molecular weight 491.04 g/mol. IUPAC: 3-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of AO-022/43452907
Property Insights of AO-022/43452907
The XLogP value of 5.08202 indicates that AO-022/43452907 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 AO-022/43452907. Following Lipinski's Rule of Five, AO-022/43452907 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-022/43452907?
The CAS number of AO-022/43452907 is 489403-55-6.
What is the molecular formula of AO-022/43452907?
The molecular formula of AO-022/43452907 is C25H18BrNO5.
What is the molecular weight of AO-022/43452907?
The molecular weight of AO-022/43452907 is 491.04 g/mol.
Where can I buy AO-022/43452907?
You can request a quote for AO-022/43452907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452907?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.