BAS 01029080
TL;DR: BAS 01029080 (CAS 333776-64-0) is a chemical compound with molecular formula C17H11BrFNO3 and molecular weight 374.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 01029080, 4-(4-bromobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)pyrrolidine-2,3-dione, 4-[(4-bromophenyl)carbonyl]-5-(3-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C17H11BrFNO3 |
|---|---|
| Molecular Weight | 374.99 g/mol |
| LogP | 3.2975 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.99063 |
| Heavy Atoms | 23 |
| Complexity | 829.98706 |
Chemical Identifiers
| CAS Number | 333776-64-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2 |
Product Overview
BAS 01029080 (CAS 333776-64-0), with molecular formula C17H11BrFNO3 and molecular weight 374.99 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01029080
Property Insights of BAS 01029080
The XLogP value of 3.2975 indicates that BAS 01029080 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 01029080. Following Lipinski's Rule of Five, BAS 01029080 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 01029080?
The CAS number of BAS 01029080 is 333776-64-0.
What is the molecular formula of BAS 01029080?
The molecular formula of BAS 01029080 is C17H11BrFNO3.
What is the molecular weight of BAS 01029080?
The molecular weight of BAS 01029080 is 374.99 g/mol.
Where can I buy BAS 01029080?
You can request a quote for BAS 01029080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029080?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.