Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate
TL;DR: Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate (CAS 121125-95-9) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-pyridin-3-ylprop-2-enoate
Also Known As: 2-Propenoic acid, methyl ester, Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate, methyl (E)-2-cyano-3-pyridin-3-ylprop-2-enoate, Methyl (2E)-2-cyano-3-(pyridin-3-yl)prop-2-enoate
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.16158 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 390.33307 |
Chemical Identifiers
| CAS Number | 121125-95-9 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CN=CC=C1)/C#N |
Product Overview
Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate (CAS 121125-95-9), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: methyl (E)-2-cyano-3-pyridin-3-ylprop-2-enoate.
Chemical Property Profile of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate
Property Insights of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate
The XLogP value of 1.16158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate. Following Lipinski's Rule of Five, Methyl (E)-2-cyano-3-(pyridin-3-yl)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 Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate?
The CAS number of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate is 121125-95-9.
What is the molecular formula of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate?
The molecular formula of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate is C10H8N2O2.
What is the molecular weight of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate?
The molecular weight of Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate is 188.06 g/mol.
Where can I buy Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate?
You can request a quote for Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-2-cyano-3-(pyridin-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.