ChemDiv1_023104
TL;DR: ChemDiv1_023104 (CAS 370587-07-8) is a chemical compound with molecular formula C21H18BrNO5 and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: ChemDiv1_023104, BAS 01402999, BIM-0038847.P001, 4-[3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, 4-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
| Molecular Formula | C21H18BrNO5 |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 3.7356 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.03683 |
| Heavy Atoms | 28 |
| Complexity | 937.02814 |
Chemical Identifiers
| CAS Number | 370587-07-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)Br)/O |
Product Overview
ChemDiv1_023104 (CAS 370587-07-8), with molecular formula C21H18BrNO5 and molecular weight 443.04 g/mol. IUPAC: 4-[(3E)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of ChemDiv1_023104
Property Insights of ChemDiv1_023104
The XLogP value of 3.7356 indicates that ChemDiv1_023104 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 ChemDiv1_023104. Following Lipinski's Rule of Five, ChemDiv1_023104 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 ChemDiv1_023104?
The CAS number of ChemDiv1_023104 is 370587-07-8.
What is the molecular formula of ChemDiv1_023104?
The molecular formula of ChemDiv1_023104 is C21H18BrNO5.
What is the molecular weight of ChemDiv1_023104?
The molecular weight of ChemDiv1_023104 is 443.04 g/mol.
Where can I buy ChemDiv1_023104?
You can request a quote for ChemDiv1_023104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023104?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.