Cinnamyl butyrate
TL;DR: Cinnamyl butyrate (CAS 78761-39-4) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-phenylprop-2-enyl] butanoate
Also Known As: Cinnamyl butyrate, Cinnamyl butanoate, Cinnamylbutyrate, Cinnamyl n-butyrate, 3-Phenylallyl butyrate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.0431 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 314.56766 |
Chemical Identifiers
| CAS Number | 78761-39-4 |
|---|---|
| SMILES | CCCC(=O)OC/C=C/C1=CC=CC=C1 |
Product Overview
Cinnamyl butyrate (CAS 78761-39-4), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: [(E)-3-phenylprop-2-enyl] butanoate.
Chemical Property Profile of Cinnamyl butyrate
Property Insights of Cinnamyl butyrate
The XLogP value of 3.0431 indicates that Cinnamyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl butyrate 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 butyrate?
The CAS number of Cinnamyl butyrate is 78761-39-4.
What is the molecular formula of Cinnamyl butyrate?
The molecular formula of Cinnamyl butyrate is C13H16O2.
What is the molecular weight of Cinnamyl butyrate?
The molecular weight of Cinnamyl butyrate is 204.12 g/mol.
Where can I buy Cinnamyl butyrate?
You can request a quote for Cinnamyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.