BAS 01029074
TL;DR: BAS 01029074 (CAS 333776-61-7) is a chemical compound with molecular formula C17H11BrN2O5 and molecular weight 401.99 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-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 01029074, 4-(4-bromobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C17H11BrN2O5 |
|---|---|
| Molecular Weight | 401.99 g/mol |
| LogP | 3.0666 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.98514 |
| Heavy Atoms | 25 |
| Complexity | 903.6404 |
Chemical Identifiers
| CAS Number | 333776-61-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2)[N+](=O)[O-] |
Product Overview
BAS 01029074 (CAS 333776-61-7), with molecular formula C17H11BrN2O5 and molecular weight 401.99 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01029074
Property Insights of BAS 01029074
The XLogP value of 3.0666 indicates that BAS 01029074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029074. Following Lipinski's Rule of Five, BAS 01029074 has 2 hydrogen bond donor(s) and 5 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 01029074?
The CAS number of BAS 01029074 is 333776-61-7.
What is the molecular formula of BAS 01029074?
The molecular formula of BAS 01029074 is C17H11BrN2O5.
What is the molecular weight of BAS 01029074?
The molecular weight of BAS 01029074 is 401.99 g/mol.
Where can I buy BAS 01029074?
You can request a quote for BAS 01029074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029074?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.