2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester (CAS 28103-60-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(N-methylanilino)prop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester, ETHYL 2-CYANO-3-[METHYL(PHENYL)AMINO]PROP-2-ENOATE, RefChem:266295
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 28103-60-8 |
|---|---|
| SMILES | CCOC(=O)C(=CN(C)C1=CC=CC=C1)C#N |
| InChIKey | CVLAFMNVFCEXAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester (CAS 28103-60-8), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: ethyl 2-cyano-3-(N-methylanilino)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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-(methylphenylamino)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester is 28103-60-8.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester is C13H14N2O2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester is 230.11 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 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-(methylphenylamino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.