BAS 01029115
TL;DR: BAS 01029115 (CAS 333776-71-9) is a chemical compound with molecular formula C23H21BrFNO5 and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Also Known As: BAS 01029115, 6-(3-(4-bromobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 6-[(3E)-3-[(4-bromophenyl)(hydroxy)methylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid, 6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid, 6-[3-(4-bromobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
| Molecular Formula | C23H21BrFNO5 |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 4.6549 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.05872 |
| Heavy Atoms | 31 |
| Complexity | 1034.5173 |
Chemical Identifiers
| CAS Number | 333776-71-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCCCCC(=O)O |
Product Overview
BAS 01029115 (CAS 333776-71-9), with molecular formula C23H21BrFNO5 and molecular weight 489.06 g/mol. IUPAC: 6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid.
Chemical Property Profile of BAS 01029115
Property Insights of BAS 01029115
The XLogP value of 4.6549 indicates that BAS 01029115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029115. Following Lipinski's Rule of Five, BAS 01029115 has 2 hydrogen bond donor(s) and 4 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 01029115?
The CAS number of BAS 01029115 is 333776-71-9.
What is the molecular formula of BAS 01029115?
The molecular formula of BAS 01029115 is C23H21BrFNO5.
What is the molecular weight of BAS 01029115?
The molecular weight of BAS 01029115 is 489.06 g/mol.
Where can I buy BAS 01029115?
You can request a quote for BAS 01029115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029115?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.