Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
TL;DR: Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester (CAS 84006-42-8) is a chemical compound with molecular formula C19H25ClO4 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybutan-2-yl hexanoate
Also Known As: 2-((3-(4-Chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl hexanoate, Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester, 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybutan-2-yl hexanoate, RefChem:1086599
| Molecular Formula | C19H25ClO4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 4.7969 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.14413 |
| Heavy Atoms | 24 |
| Complexity | 550.9902 |
Chemical Identifiers
| CAS Number | 84006-42-8 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=C(C=C1)Cl |
Product Overview
Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester (CAS 84006-42-8), with molecular formula C19H25ClO4 and molecular weight 352.14 g/mol. IUPAC: 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybutan-2-yl hexanoate.
Chemical Property Profile of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
Property Insights of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
The XLogP value of 4.7969 indicates that Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester has 0 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 Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester?
The CAS number of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester is 84006-42-8.
What is the molecular formula of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester?
The molecular formula of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester is C19H25ClO4.
What is the molecular weight of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester?
The molecular weight of Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester is 352.14 g/mol.
Where can I buy Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester?
You can request a quote for Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.