Ethyl 4-aminocinnamate
TL;DR: Ethyl 4-aminocinnamate (CAS 508-36-1) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Also Known As: Ethyl 4-aminocinnamate, Ethyl p-aminocinnamate, Ethyl 3-(4-aminophenyl)acrylate, (E)-Ethyl 4-aminocinnamate, 4-aminocinnamic acid ethyl ester
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 508-36-1 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=C(C=C1)N |
| InChIKey | NRPMBSHHBFFYBF-VMPITWQZSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-aminocinnamate (CAS 508-36-1), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: ethyl (E)-3-(4-aminophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 4-aminocinnamate
Property Insights of Ethyl 4-aminocinnamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-aminocinnamate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 4-aminocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-aminocinnamate has 1 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 Ethyl 4-aminocinnamate?
The CAS number of Ethyl 4-aminocinnamate is 508-36-1.
What is the molecular formula of Ethyl 4-aminocinnamate?
The molecular formula of Ethyl 4-aminocinnamate is C11H13NO2.
What is the molecular weight of Ethyl 4-aminocinnamate?
The molecular weight of Ethyl 4-aminocinnamate is 191.09 g/mol.
Where can I buy Ethyl 4-aminocinnamate?
You can request a quote for Ethyl 4-aminocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-aminocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-aminocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.