BAS 01029160
TL;DR: BAS 01029160 (CAS 333431-95-1) is a chemical compound with molecular formula C19H15BrN2O6 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-hydroxyethyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 01029160, AT-057/12840249, 4-(4-bromobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-hydroxyethyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C19H15BrN2O6 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 2.7713 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.01135 |
| Heavy Atoms | 28 |
| Complexity | 986.1733 |
Chemical Identifiers
| CAS Number | 333431-95-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2/C(=C(\C3=CC=C(C=C3)Br)/O)/C(=O)C(=O)N2CCO)[N+](=O)[O-] |
Product Overview
BAS 01029160 (CAS 333431-95-1), with molecular formula C19H15BrN2O6 and molecular weight 446.01 g/mol. IUPAC: (4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-hydroxyethyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01029160
Property Insights of BAS 01029160
The XLogP value of 2.7713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01029160. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029160. Following Lipinski's Rule of Five, BAS 01029160 has 2 hydrogen bond donor(s) and 6 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 01029160?
The CAS number of BAS 01029160 is 333431-95-1.
What is the molecular formula of BAS 01029160?
The molecular formula of BAS 01029160 is C19H15BrN2O6.
What is the molecular weight of BAS 01029160?
The molecular weight of BAS 01029160 is 446.01 g/mol.
Where can I buy BAS 01029160?
You can request a quote for BAS 01029160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029160?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.