2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester (CAS 80677-53-8) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl (E)-2-cyano-3-(N-methylanilino)prop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester, butan-2-yl (E)-2-cyano-3-(N-methylanilino)prop-2-enoate
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.87198 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 488.61707 |
Chemical Identifiers
| CAS Number | 80677-53-8 |
|---|---|
| SMILES | CCC(C)OC(=O)/C(=C/N(C)C1=CC=CC=C1)/C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester (CAS 80677-53-8), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: butan-2-yl (E)-2-cyano-3-(N-methylanilino)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester
The XLogP value of 2.87198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester. With a topological polar surface area (TPSA) of 53.33 Ų, 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl 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)-, 1-methylpropyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester is 80677-53-8.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester is C15H18N2O2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester is 258.14 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl 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)-, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(methylphenylamino)-, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.