2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester
TL;DR: 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester (CAS 4067-25-8) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 3-phenylprop-2-enoate
Also Known As: beta-dimethylaminoethyl cinnamate, Zimtsaeure-(2-dimethylamino-ethylester), 2-(DIMETHYLAMINO)ETHYL 3-PHENYLPROP-2-ENOATE, 2-dimethylaminoethyl 3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 4067-25-8 |
|---|---|
| SMILES | CN(C)CCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | BWJAQVSVFPHGSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester (CAS 4067-25-8), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 2-(dimethylamino)ethyl 3-phenylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester
Property Insights of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester 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 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester?
The CAS number of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester is 4067-25-8.
What is the molecular formula of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester?
The molecular formula of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester is C13H17NO2.
What is the molecular weight of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester?
The molecular weight of 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester is 219.13 g/mol.
Where can I buy 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester?
You can request a quote for 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.