Cinnamyl isobutyrate
TL;DR: Cinnamyl isobutyrate (CAS 10425-52-2) 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] 2-methylpropanoate
Also Known As: Cinnamyl isobutyrate, Cinnamylisobutyrate, cinnamylisobutyrat-, cinnamyl iso-butyrate, FEMA No. 2297
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.899 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 325.64902 |
Chemical Identifiers
| CAS Number | 10425-52-2 |
|---|---|
| SMILES | CC(C)C(=O)OC/C=C/C1=CC=CC=C1 |
Product Overview
Cinnamyl isobutyrate (CAS 10425-52-2), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: [(E)-3-phenylprop-2-enyl] 2-methylpropanoate.
Chemical Property Profile of Cinnamyl isobutyrate
Property Insights of Cinnamyl isobutyrate
The XLogP value of 2.899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Cinnamyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl isobutyrate 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 isobutyrate?
The CAS number of Cinnamyl isobutyrate is 10425-52-2.
What is the molecular formula of Cinnamyl isobutyrate?
The molecular formula of Cinnamyl isobutyrate is C13H16O2.
What is the molecular weight of Cinnamyl isobutyrate?
The molecular weight of Cinnamyl isobutyrate is 204.12 g/mol.
Where can I buy Cinnamyl isobutyrate?
You can request a quote for Cinnamyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.