Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate
TL;DR: Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate (CAS 57338-21-3) 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 (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(dimethylamino)acrylate, HcuD@AdDrJIQIFMTwTBJP, ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate, ethyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate, ethyl (2Z)-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 | 57338-21-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C\N(C)C)/C#N |
Product Overview
Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate (CAS 57338-21-3), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate.
Chemical Property Profile of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate
Property Insights of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate
The XLogP value of 0.51858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate. With a topological polar surface area (TPSA) of 53.33 Ų, Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate 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 (2Z)-2-cyano-3-(dimethylamino)acrylate?
The CAS number of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate is 57338-21-3.
What is the molecular formula of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate?
The molecular formula of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate is C8H12N2O2.
What is the molecular weight of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate?
The molecular weight of Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate is 168.09 g/mol.
Where can I buy Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate?
You can request a quote for Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2Z)-2-cyano-3-(dimethylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.