2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester
TL;DR: 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester (CAS 201992-01-0) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
Also Known As: BAS 00104610, 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester, propan-2-yl (2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.9112 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 690.48474 |
Chemical Identifiers
| CAS Number | 201992-01-0 |
|---|---|
| SMILES | CC(C)OC(=O)/C(=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)C |
Product Overview
2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester (CAS 201992-01-0), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: propan-2-yl (2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate.
Chemical Property Profile of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester
Property Insights of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester
The XLogP value of 4.9112 indicates that 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester. Following Lipinski's Rule of Five, 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester has 1 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 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester?
The CAS number of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester is 201992-01-0.
What is the molecular formula of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester?
The molecular formula of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester is C22H32O4.
What is the molecular weight of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester?
The molecular weight of 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester is 360.23 g/mol.
Where can I buy 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester?
You can request a quote for 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-3-oxo-butyric acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.