BAS 00805071
TL;DR: BAS 00805071 (CAS 332022-46-5) is a chemical compound with molecular formula C22H14BrClN2O3 and molecular weight 467.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: BAS 00805071, (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione, 5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(pyridin-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H14BrClN2O3 |
|---|---|
| Molecular Weight | 467.99 g/mol |
| LogP | 5.1238 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.98764 |
| Heavy Atoms | 29 |
| Complexity | 1113.0591 |
Chemical Identifiers
| CAS Number | 332022-46-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br |
Product Overview
BAS 00805071 (CAS 332022-46-5), with molecular formula C22H14BrClN2O3 and molecular weight 467.99 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00805071
Property Insights of BAS 00805071
The XLogP value of 5.1238 indicates that BAS 00805071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00805071. Following Lipinski's Rule of Five, BAS 00805071 has 1 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 BAS 00805071?
The CAS number of BAS 00805071 is 332022-46-5.
What is the molecular formula of BAS 00805071?
The molecular formula of BAS 00805071 is C22H14BrClN2O3.
What is the molecular weight of BAS 00805071?
The molecular weight of BAS 00805071 is 467.99 g/mol.
Where can I buy BAS 00805071?
You can request a quote for BAS 00805071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00805071?
Yes, KEHONG BIO provides custom synthesis services for BAS 00805071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.