2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester (CAS 7498-85-3) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate
Also Known As: Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate, ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate, Ethyl2-Cyano-3-(1-naphthalenyl)acrylate, ethyl 2-cyano-3-(1-naphthyl)prop-2-enoate, ethyl-2-cyano-3-(1-naphthyl)-2-propenoate
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 7498-85-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC2=CC=CC=C21)C#N |
| InChIKey | LKIMUVKEQPRZFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester (CAS 7498-85-3), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester
The XLogP value of 3.7 indicates that 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, 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, 2-cyano-3-(1-naphthalenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester is 7498-85-3.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester is C16H13NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester is 251.09 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, 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, 2-cyano-3-(1-naphthalenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.