Cinnamyl heptanoate
TL;DR: Cinnamyl heptanoate (CAS 71607-52-8) is a chemical compound with molecular formula C16H22O2 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-phenylprop-2-enyl] heptanoate
Also Known As: Cinnamyl heptanoate, 3-Phenylallyl heptanoate, EINECS 275-693-8, [(E)-3-phenylprop-2-enyl] heptanoate, Heptanoic acid 3-phenyl-2-propenyl ester
| Molecular Formula | C16H22O2 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.16199 |
| Heavy Atoms | 18 |
| Complexity | 354.61954 |
Chemical Identifiers
| CAS Number | 71607-52-8 |
|---|---|
| SMILES | CCCCCCC(=O)OC/C=C/C1=CC=CC=C1 |
Product Overview
Cinnamyl heptanoate (CAS 71607-52-8), with molecular formula C16H22O2 and molecular weight 246.16 g/mol. IUPAC: [(E)-3-phenylprop-2-enyl] heptanoate.
Chemical Property Profile of Cinnamyl heptanoate
Property Insights of Cinnamyl heptanoate
The XLogP value of 4.2134 indicates that Cinnamyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cinnamyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl heptanoate has 0 hydrogen bond donor(s) and 2 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 Cinnamyl heptanoate?
The CAS number of Cinnamyl heptanoate is 71607-52-8.
What is the molecular formula of Cinnamyl heptanoate?
The molecular formula of Cinnamyl heptanoate is C16H22O2.
What is the molecular weight of Cinnamyl heptanoate?
The molecular weight of Cinnamyl heptanoate is 246.16 g/mol.
Where can I buy Cinnamyl heptanoate?
You can request a quote for Cinnamyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.