BAS 01029116
TL;DR: BAS 01029116 (CAS 333776-72-0) is a chemical compound with molecular formula C23H21BrN2O7 and molecular weight 516.05 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-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Also Known As: BAS 01029116, 6-(3-(4-bromobenzoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 6-[(3E)-3-[(4-bromophenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid, 6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
| Molecular Formula | C23H21BrN2O7 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 4.424 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.0532 |
| Heavy Atoms | 33 |
| Complexity | 1110.6348 |
Chemical Identifiers
| CAS Number | 333776-72-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCCCCC(=O)O)[N+](=O)[O-] |
Product Overview
BAS 01029116 (CAS 333776-72-0), with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol. IUPAC: 6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid.
Chemical Property Profile of BAS 01029116
Property Insights of BAS 01029116
The XLogP value of 4.424 indicates that BAS 01029116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029116. Following Lipinski's Rule of Five, BAS 01029116 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01029116?
The CAS number of BAS 01029116 is 333776-72-0.
What is the molecular formula of BAS 01029116?
The molecular formula of BAS 01029116 is C23H21BrN2O7.
What is the molecular weight of BAS 01029116?
The molecular weight of BAS 01029116 is 516.05 g/mol.
Where can I buy BAS 01029116?
You can request a quote for BAS 01029116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029116?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.