C21H18BrClN2O4
TL;DR: C21H18BrClN2O4 (CAS 309727-58-0) is a chemical compound with molecular formula C21H18BrClN2O4 and molecular weight 476.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3E)-2-(4-bromophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]ethyl]acetamide
Also Known As: A2232/0093949, N-(2-(2-(4-bromophenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)acetamide, N-(2-{(3E)-2-(4-bromophenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}ethyl)acetamide, N-[2-[(3E)-2-(4-bromophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]ethyl]acetamide
| Molecular Formula | C21H18BrClN2O4 |
|---|---|
| Molecular Weight | 476.01 g/mol |
| LogP | 3.6603 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.01385 |
| Heavy Atoms | 29 |
| Complexity | 986.7456 |
Chemical Identifiers
| CAS Number | 309727-58-0 |
|---|---|
| SMILES | CC(=O)NCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=C(C=C3)Br |
Product Overview
C21H18BrClN2O4 (CAS 309727-58-0), with molecular formula C21H18BrClN2O4 and molecular weight 476.01 g/mol. IUPAC: N-[2-[(3E)-2-(4-bromophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]ethyl]acetamide.
Chemical Property Profile of C21H18BrClN2O4
Property Insights of C21H18BrClN2O4
The XLogP value of 3.6603 indicates that C21H18BrClN2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H18BrClN2O4. Following Lipinski's Rule of Five, C21H18BrClN2O4 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 C21H18BrClN2O4?
The CAS number of C21H18BrClN2O4 is 309727-58-0.
What is the molecular formula of C21H18BrClN2O4?
The molecular formula of C21H18BrClN2O4 is C21H18BrClN2O4.
What is the molecular weight of C21H18BrClN2O4?
The molecular weight of C21H18BrClN2O4 is 476.01 g/mol.
Where can I buy C21H18BrClN2O4?
You can request a quote for C21H18BrClN2O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18BrClN2O4?
Yes, KEHONG BIO provides custom synthesis services for C21H18BrClN2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.