Butanoic acid 3-phenyl-2-propenyl ester
TL;DR: Butanoic acid 3-phenyl-2-propenyl ester (CAS 103-61-7) 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.
3-phenylprop-2-enyl butanoate
Also Known As: Cinnamyl butyrate, Cinnamyl butanoate, Cinnamyl n-butyrate, (E)-cinnamyl butyrate, 3-Phenylallyl butyrate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 103-61-7 |
|---|---|
| SMILES | CCCC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | YZYPQKZWNXANRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid 3-phenyl-2-propenyl ester (CAS 103-61-7), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 3-phenylprop-2-enyl butanoate.
Chemical Property Profile of Butanoic acid 3-phenyl-2-propenyl ester
Property Insights of Butanoic acid 3-phenyl-2-propenyl ester
The XLogP value of 3.1 indicates that Butanoic acid 3-phenyl-2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid 3-phenyl-2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid 3-phenyl-2-propenyl ester 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 Butanoic acid 3-phenyl-2-propenyl ester?
The CAS number of Butanoic acid 3-phenyl-2-propenyl ester is 103-61-7.
What is the molecular formula of Butanoic acid 3-phenyl-2-propenyl ester?
The molecular formula of Butanoic acid 3-phenyl-2-propenyl ester is C13H16O2.
What is the molecular weight of Butanoic acid 3-phenyl-2-propenyl ester?
The molecular weight of Butanoic acid 3-phenyl-2-propenyl ester is 204.12 g/mol.
Where can I buy Butanoic acid 3-phenyl-2-propenyl ester?
You can request a quote for Butanoic acid 3-phenyl-2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid 3-phenyl-2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid 3-phenyl-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.