Ethyl 3-anilino-3-phenylprop-2-enoate
TL;DR: Ethyl 3-anilino-3-phenylprop-2-enoate (CAS 3556-76-1) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-anilino-3-phenylprop-2-enoate
Also Known As: ethyl 3-anilino-3-phenylprop-2-enoate, ethyl-3-phenyl-3-phenylamino-acrylate, ethyl (Z)-3-(phenylamino)-3-phenylpropenoate, ethyl 3-phenyl-3-(phenylamino)prop-2-enoate, ETHYL (Z)-3-ANILINO-3-PHENYL-PROP-2-ENOATE
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 3556-76-1 |
|---|---|
| SMILES | CCOC(=O)C=C(C1=CC=CC=C1)NC2=CC=CC=C2 |
| InChIKey | NYXATQKDISMJBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-anilino-3-phenylprop-2-enoate (CAS 3556-76-1), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: ethyl 3-anilino-3-phenylprop-2-enoate.
Chemical Property Profile of Ethyl 3-anilino-3-phenylprop-2-enoate
Property Insights of Ethyl 3-anilino-3-phenylprop-2-enoate
The XLogP value of 4.5 indicates that Ethyl 3-anilino-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-anilino-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-anilino-3-phenylprop-2-enoate 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 3-anilino-3-phenylprop-2-enoate?
The CAS number of Ethyl 3-anilino-3-phenylprop-2-enoate is 3556-76-1.
What is the molecular formula of Ethyl 3-anilino-3-phenylprop-2-enoate?
The molecular formula of Ethyl 3-anilino-3-phenylprop-2-enoate is C17H17NO2.
What is the molecular weight of Ethyl 3-anilino-3-phenylprop-2-enoate?
The molecular weight of Ethyl 3-anilino-3-phenylprop-2-enoate is 267.13 g/mol.
Where can I buy Ethyl 3-anilino-3-phenylprop-2-enoate?
You can request a quote for Ethyl 3-anilino-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-anilino-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-anilino-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.