3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate
TL;DR: 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate (CAS 84006-29-1) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenylprop-2-enoyloxy)butan-2-yl hexanoate
Also Known As: 1-Methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl hexanoate
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 4.1435 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 507.36072 |
Chemical Identifiers
| CAS Number | 84006-29-1 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)C(C)OC(=O)C=CC1=CC=CC=C1 |
Product Overview
3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate (CAS 84006-29-1), with molecular formula C19H26O4 and molecular weight 318.18 g/mol. IUPAC: 3-(3-phenylprop-2-enoyloxy)butan-2-yl hexanoate.
Chemical Property Profile of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate
Property Insights of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate
The XLogP value of 4.1435 indicates that 3-(3-Phenylprop-2-enoyloxy)butan-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-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenylprop-2-enoyloxy)butan-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-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate?
The CAS number of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate is 84006-29-1.
What is the molecular formula of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate?
The molecular formula of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate is C19H26O4.
What is the molecular weight of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate?
The molecular weight of 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate is 318.18 g/mol.
Where can I buy 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate?
You can request a quote for 3-(3-Phenylprop-2-enoyloxy)butan-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-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenylprop-2-enoyloxy)butan-2-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.