ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
TL;DR: ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate (CAS 1691-93-6) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(dimethylamino)acrylate, ethyl 2-cyano-3-(dimethylamino)prop-2-enoate, ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate, ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate, ethyl (2E)-2-cyano-3-(dimethylamino)prop-2-enoate
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.51858 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 225.70259 |
Chemical Identifiers
| CAS Number | 1691-93-6 |
|---|---|
| SMILES | CCOC(=O)/C(=C/N(C)C)/C#N |
Product Overview
ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate (CAS 1691-93-6), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
Property Insights of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
The XLogP value of 0.51858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate. With a topological polar surface area (TPSA) of 53.33 Ų, ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-(dimethylamino)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 (E)-2-cyano-3-(dimethylamino)prop-2-enoate?
The CAS number of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate is 1691-93-6.
What is the molecular formula of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate?
The molecular formula of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate is C8H12N2O2.
What is the molecular weight of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate?
The molecular weight of ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate is 168.09 g/mol.
Where can I buy ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate?
You can request a quote for ethyl (E)-2-cyano-3-(dimethylamino)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 (E)-2-cyano-3-(dimethylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.