Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate
TL;DR: Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate (CAS 70582-63-7) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate, Ethyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate, 2-(2-cyano 2-ethoxycarbonyl-ethen-1-yl)pyrrole, 2-Propenoic acid, 2-cyano-3-(1H-pyrrol-2-yl)-, ethyl ester, (2E)-, 2-Propenoic acid, 2-cyano-3-(1H-pyrrol-2-yl)-, ethyl ester
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.48478 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 371.3263 |
Chemical Identifiers
| CAS Number | 70582-63-7 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CN1)C#N |
Product Overview
Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate (CAS 70582-63-7), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: ethyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate
Property Insights of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate
The XLogP value of 1.48478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate has 1 hydrogen bond donor(s) and 3 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 2-cyano-3-(1h-pyrrol-2-yl)acrylate?
The CAS number of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate is 70582-63-7.
What is the molecular formula of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate?
The molecular formula of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate is C10H10N2O2.
What is the molecular weight of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate?
The molecular weight of Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate is 190.07 g/mol.
Where can I buy Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate?
You can request a quote for Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(1h-pyrrol-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.