2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester
TL;DR: 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester (CAS 525567-98-0) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-pyridin-4-ylbut-2-enoate
Also Known As: ethyl 2-cyano-3-pyridin-4-ylbut-2-enoate, Ethyl 2-cyano-3-pyridin-4-yl-but-2-enoate, 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester, 2-Butenoic acid, 2-cyano-3-(4-pyridinyl)-, ethyl ester
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.94178 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 443.8366 |
Chemical Identifiers
| CAS Number | 525567-98-0 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C1=CC=NC=C1)C#N |
Product Overview
2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester (CAS 525567-98-0), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: ethyl 2-cyano-3-pyridin-4-ylbut-2-enoate.
Chemical Property Profile of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester
Property Insights of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester
The XLogP value of 1.94178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester. Following Lipinski's Rule of Five, 2-Cyano-3-pyridin-4-yl-but-2-enoic acid 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 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester?
The CAS number of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester is 525567-98-0.
What is the molecular formula of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester?
The molecular formula of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester is C12H12N2O2.
What is the molecular weight of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester?
The molecular weight of 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester is 216.09 g/mol.
Where can I buy 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester?
You can request a quote for 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-pyridin-4-yl-but-2-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.