Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester
TL;DR: Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester (CAS 84006-50-8) is a chemical compound with molecular formula C22H29NO4 and molecular weight 371.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-2-cyano-3-phenylprop-2-enoyl]oxybutan-2-yl octanoate
Also Known As: 2-((2-Cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl octanoate, Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester, 3-[(E)-2-cyano-3-phenylprop-2-enoyl]oxybutan-2-yl octanoate, RefChem:1093811
| Molecular Formula | C22H29NO4 |
|---|---|
| Molecular Weight | 371.21 g/mol |
| LogP | 4.81748 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 371.20966 |
| Heavy Atoms | 27 |
| Complexity | 660.6404 |
Chemical Identifiers
| CAS Number | 84006-50-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OC(C)C(C)OC(=O)/C(=C/C1=CC=CC=C1)/C#N |
Product Overview
Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester (CAS 84006-50-8), with molecular formula C22H29NO4 and molecular weight 371.21 g/mol. IUPAC: 3-[(E)-2-cyano-3-phenylprop-2-enoyl]oxybutan-2-yl octanoate.
Chemical Property Profile of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester
Property Insights of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester
The XLogP value of 4.81748 indicates that Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester. Following Lipinski's Rule of Five, Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester has 0 hydrogen bond donor(s) and 5 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 Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester?
The CAS number of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester is 84006-50-8.
What is the molecular formula of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester?
The molecular formula of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester is C22H29NO4.
What is the molecular weight of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester?
The molecular weight of Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester is 371.21 g/mol.
Where can I buy Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester?
You can request a quote for Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-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 Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2-((2-cyano-1-oxo-3-phenyl-2-propenyl)oxy)-1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.