3-(Diethylamino)propyl cinnamate
TL;DR: 3-(Diethylamino)propyl cinnamate (CAS 4361-80-2) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 3-phenylprop-2-enoate
Also Known As: Apothesine, 3-(DIETHYLAMINO)PROPYL CINNAMATE, 3-(Diethylamino)propylcinnamate, Cinnamic acid, 3-(diethylamino)propyl ester, benzene, 2-[3-(diethylamino)propoxycarbonyl]vinyl-
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 4361-80-2 |
|---|---|
| SMILES | CCN(CC)CCCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | CHLMFHKZCVSJIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Diethylamino)propyl cinnamate (CAS 4361-80-2), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 3-(diethylamino)propyl 3-phenylprop-2-enoate.
Chemical Property Profile of 3-(Diethylamino)propyl cinnamate
Property Insights of 3-(Diethylamino)propyl cinnamate
The XLogP value of 3.8 indicates that 3-(Diethylamino)propyl cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Diethylamino)propyl cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl cinnamate has 0 hydrogen bond donor(s) and 3 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 3-(Diethylamino)propyl cinnamate?
The CAS number of 3-(Diethylamino)propyl cinnamate is 4361-80-2.
What is the molecular formula of 3-(Diethylamino)propyl cinnamate?
The molecular formula of 3-(Diethylamino)propyl cinnamate is C16H23NO2.
What is the molecular weight of 3-(Diethylamino)propyl cinnamate?
The molecular weight of 3-(Diethylamino)propyl cinnamate is 261.17 g/mol.
Where can I buy 3-(Diethylamino)propyl cinnamate?
You can request a quote for 3-(Diethylamino)propyl cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)propyl cinnamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)propyl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.