2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester
TL;DR: 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester (CAS 6687-86-1) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
Also Known As: 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-acrylic acid ethyl ester, ethyl 2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate, 1(2H)-Quinolineacrylic acid, alpha-cyano-3,4-dihydro-, ethyl ester, ethyl (Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-eno, 653-608-9
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 6687-86-1 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCCC2=CC=CC=C21)C#N |
| InChIKey | CQQPOEPVLMKPHG-UHFFFAOYSA-N |
Product Overview
2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester (CAS 6687-86-1), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: ethyl 2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester
Property Insights of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid 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-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester?
The CAS number of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester is 6687-86-1.
What is the molecular formula of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester?
The molecular formula of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester is C15H16N2O2.
What is the molecular weight of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester?
The molecular weight of 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester is 256.12 g/mol.
Where can I buy 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester?
You can request a quote for 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid 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-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3,4-dihydro-2H-quinolin-1-YL)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.