![2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester structure](/static/products/2544/25442-70-0.webp)
2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester
TL;DR: 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester (CAS 25442-70-0) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoate
Also Known As: UPCMLD0ENAT5384955:001, ethyl (Z)-2-cyano-3-[4-[2-cyanoethyl(methyl)amino]phenyl]pro, ethyl 2-cyano-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoate, 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 25442-70-0 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)N(C)CCC#N)C#N |
| InChIKey | PLKIDGIOFRFBAV-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester (CAS 25442-70-0), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: ethyl 2-cyano-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester
Property Insights of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester has 0 hydrogen bond donor(s) and 5 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-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester?
The CAS number of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester is 25442-70-0.
What is the molecular formula of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester?
The molecular formula of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester is C16H17N3O2.
What is the molecular weight of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester?
The molecular weight of 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester is 283.13 g/mol.
Where can I buy 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester?
You can request a quote for 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, 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-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid,2-cyano-3-[4-[(2-cyanoethyl)methylamino]phenyl]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.