1-Piperidineacrylic acid, alpha-cyano-, ethyl ester
TL;DR: 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester (CAS 57338-22-4) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-piperidin-1-ylprop-2-enoate
Also Known As: alpha-Cyano-1-piperidineacrylic acid ethyl ester, 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester, N-(beta-Carboethoxy-beta-cyanovinyl)piperidine, ethyl (E)-2-cyano-3-piperidin-1-ylprop-2-enoate, ethyl (Z)-2-cyano-3-piperidin-1-ylprop-2-enoate
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 1.44288 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 285.45328 |
Chemical Identifiers
| CAS Number | 57338-22-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/N1CCCCC1)/C#N |
Product Overview
1-Piperidineacrylic acid, alpha-cyano-, ethyl ester (CAS 57338-22-4), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: ethyl (E)-2-cyano-3-piperidin-1-ylprop-2-enoate.
Chemical Property Profile of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester
Property Insights of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester
The XLogP value of 1.44288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester. With a topological polar surface area (TPSA) of 53.33 Ų, 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidineacrylic acid, alpha-cyano-, 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 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester?
The CAS number of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester is 57338-22-4.
What is the molecular formula of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester?
The molecular formula of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester is C11H16N2O2.
What is the molecular weight of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester?
The molecular weight of 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester is 208.12 g/mol.
Where can I buy 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester?
You can request a quote for 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidineacrylic acid, alpha-cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.