3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate
TL;DR: 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate (CAS 84006-57-5) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate
Also Known As: 1-Methyl-2-((2-methyl-1-oxo-3-phenyl-2-propenyl)oxy)propyl hexanoate, Hexanoic acid, 1-methyl-2-((2-methyl-1-oxo-3-phenyl-2-propenyl)oxy)propyl ester
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 4.5336 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 548.0171 |
Chemical Identifiers
| CAS Number | 84006-57-5 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)C(C)OC(=O)C(=CC1=CC=CC=C1)C |
Product Overview
3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate (CAS 84006-57-5), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: 3-(2-methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate.
Chemical Property Profile of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate
Property Insights of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate
The XLogP value of 4.5336 indicates that 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate 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 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate?
The CAS number of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate is 84006-57-5.
What is the molecular formula of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate?
The molecular formula of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate is C20H28O4.
What is the molecular weight of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate?
The molecular weight of 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate is 332.20 g/mol.
Where can I buy 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate?
You can request a quote for 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methyl-3-phenylprop-2-enoyl)oxybutan-2-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.