ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate
TL;DR: ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate (CAS 6687-89-4) is a chemical compound with molecular formula C14H15N3O2 and molecular weight 257.12 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-quinoxalin-1-yl)prop-2-enoate
Also Known As: NCIOpen2_006093, 1(2H)-Quinoxalineacrylic acid, 3,4-dihydro-.alpha.-cyano-, ethyl, ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate, .alpha.-Cyano-3,4-dihydro-1(2H)-quinoxalineacrylic acid ethyl ester, 1(2H)-Quinoxalineacrylic acid, 3,4-dihydro-alpha-cyano-, ethyl ester
| Molecular Formula | C14H15N3O2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.11642 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 6687-89-4 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCNC2=CC=CC=C21)C#N |
| InChIKey | BMVPZMMXQCAFDS-UHFFFAOYSA-N |
Product Overview
ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate (CAS 6687-89-4), with molecular formula C14H15N3O2 and molecular weight 257.12 g/mol. IUPAC: ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate.
Chemical Property Profile of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate
Property Insights of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate. Following Lipinski's Rule of Five, ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate has 1 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 ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate?
The CAS number of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate is 6687-89-4.
What is the molecular formula of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate?
The molecular formula of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate is C14H15N3O2.
What is the molecular weight of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate?
The molecular weight of ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate is 257.12 g/mol.
Where can I buy ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate?
You can request a quote for ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-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-2H-quinoxalin-1-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.