Butyl Cinnamate
TL;DR: Butyl Cinnamate (CAS 52392-65-1) 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.
butyl (E)-3-phenylprop-2-enoate
Also Known As: BUTYL CINNAMATE, n-Butyl cinnamate, Eliminoxy, Butyl phenylacrylate, Butyl (E)-cinnamate
| 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 | 52392-65-1 |
|---|---|
| SMILES | CCCCOC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
Butyl Cinnamate (CAS 52392-65-1), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: butyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Butyl Cinnamate
Property Insights of Butyl Cinnamate
The XLogP value of 3.0431 indicates that Butyl Cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl Cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl Cinnamate 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 Butyl Cinnamate?
The CAS number of Butyl Cinnamate is 52392-65-1.
What is the molecular formula of Butyl Cinnamate?
The molecular formula of Butyl Cinnamate is C13H16O2.
What is the molecular weight of Butyl Cinnamate?
The molecular weight of Butyl Cinnamate is 204.12 g/mol.
Where can I buy Butyl Cinnamate?
You can request a quote for Butyl Cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl Cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl Cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.