肉桂酸戊酯
TL;DR: 肉桂酸戊酯 (CAS 3487-99-8) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
肉桂酸戊酯
pentyl 3-phenylprop-2-enoate
Also Known As: Pentyl cinnamate, Amyl cinnamate, amylcinnamat, pentyl 3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, pentyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 3487-99-8 |
|---|---|
| SMILES | CCCCCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | QDRJCWZGTMRXCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
肉桂酸戊酯 (CAS 3487-99-8), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: pentyl 3-phenylprop-2-enoate.
Chemical Property Profile of 肉桂酸戊酯
Property Insights of 肉桂酸戊酯
The XLogP value of 4.4 indicates that 肉桂酸戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 肉桂酸戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 肉桂酸戊酯 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 肉桂酸戊酯?
The CAS number of 肉桂酸戊酯 is 3487-99-8.
What is the molecular formula of 肉桂酸戊酯?
The molecular formula of 肉桂酸戊酯 is C14H18O2.
What is the molecular weight of 肉桂酸戊酯?
The molecular weight of 肉桂酸戊酯 is 218.13 g/mol.
Where can I buy 肉桂酸戊酯?
You can request a quote for 肉桂酸戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肉桂酸戊酯?
Yes, KEHONG BIO provides custom synthesis services for 肉桂酸戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.