Dodecyl 3-phenylpropanoate
TL;DR: Dodecyl 3-phenylpropanoate (CAS 112715-88-5) is a chemical compound with molecular formula C21H34O2 and molecular weight 318.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-phenylpropanoate
Also Known As: Dodecyl 3-phenylpropanoate, dodecyl hydrocinnamate, Dodecyl 3-phenylpropanoate #, Benzenepropanoic acid, dodecyl ester, Benzenepropionic acid lauryl ester
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 318.2559 |
| Heavy Atoms | 23 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 112715-88-5 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCC1=CC=CC=C1 |
| InChIKey | ZOKHYZTWHSXALP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl 3-phenylpropanoate (CAS 112715-88-5), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: dodecyl 3-phenylpropanoate.
Chemical Property Profile of Dodecyl 3-phenylpropanoate
Property Insights of Dodecyl 3-phenylpropanoate
The XLogP value of 7.9 indicates that Dodecyl 3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecyl 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 3-phenylpropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl 3-phenylpropanoate?
The CAS number of Dodecyl 3-phenylpropanoate is 112715-88-5.
What is the molecular formula of Dodecyl 3-phenylpropanoate?
The molecular formula of Dodecyl 3-phenylpropanoate is C21H34O2.
What is the molecular weight of Dodecyl 3-phenylpropanoate?
The molecular weight of Dodecyl 3-phenylpropanoate is 318.26 g/mol.
Where can I buy Dodecyl 3-phenylpropanoate?
You can request a quote for Dodecyl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.