BAS 13119324
TL;DR: BAS 13119324 (CAS 499116-58-4) is a chemical compound with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: BAS 13119324, 4-(4-bromobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione, 4-[(4-bromophenyl)carbonyl]-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H18BrNO3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.2818 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.047 |
| Heavy Atoms | 25 |
| Complexity | 851.51495 |
Chemical Identifiers
| CAS Number | 499116-58-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2 |
Product Overview
BAS 13119324 (CAS 499116-58-4), with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 13119324
Property Insights of BAS 13119324
The XLogP value of 4.2818 indicates that BAS 13119324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119324. Following Lipinski's Rule of Five, BAS 13119324 has 2 hydrogen bond donor(s) and 3 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 BAS 13119324?
The CAS number of BAS 13119324 is 499116-58-4.
What is the molecular formula of BAS 13119324?
The molecular formula of BAS 13119324 is C20H18BrNO3.
What is the molecular weight of BAS 13119324?
The molecular weight of BAS 13119324 is 399.05 g/mol.
Where can I buy BAS 13119324?
You can request a quote for BAS 13119324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119324?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.