ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate
TL;DR: ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate (CAS 6687-83-8) 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-1H-isoquinolin-2-yl)prop-2-enoate
Also Known As: ChemDiv1_022492, NCIOpen2_004596, ethyl (Z)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-, ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate, ethyl 2-cyano-3-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-enoate
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 2.3 |
| 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 | 6687-83-8 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCC2=CC=CC=C2C1)C#N |
| InChIKey | JMHMXVKCNQZYIM-UHFFFAOYSA-N |
Product Overview
ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate (CAS 6687-83-8), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate.
Chemical Property Profile of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate
Property Insights of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 53.3 Ų, ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate 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 ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate?
The CAS number of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate is 6687-83-8.
What is the molecular formula of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate?
The molecular formula of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate is C15H16N2O2.
What is the molecular weight of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate?
The molecular weight of ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate is 256.12 g/mol.
Where can I buy ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate?
You can request a quote for ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.