ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate
TL;DR: ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate (CAS 150312-34-8) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(5-formyl-1H-pyrrol-2-yl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate, ethyl (E)-2-cyano-3-(5-formyl-1H-pyrrol-2-yl)prop-2-enoate, ethyl (2E)-2-cyano-3-(5-formylpyrrol-2-yl)prop-2-enoate, ETHYL 2-CYANO-3-(5-FORMYL-1H-PYRROL-2-YL)-2-PROPENOATE
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.29728 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 465.81937 |
Chemical Identifiers
| CAS Number | 150312-34-8 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(N1)C=O)/C#N |
Product Overview
ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate (CAS 150312-34-8), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: ethyl (E)-2-cyano-3-(5-formyl-1H-pyrrol-2-yl)prop-2-enoate.
Chemical Property Profile of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate
Property Insights of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate
The XLogP value of 1.29728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate. Following Lipinski's Rule of Five, ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate has 1 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 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate?
The CAS number of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate is 150312-34-8.
What is the molecular formula of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate?
The molecular formula of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate is C11H10N2O3.
What is the molecular weight of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate?
The molecular weight of ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate is 218.07 g/mol.
Where can I buy ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate?
You can request a quote for ethyl 2-cyano-3-(5-formyl-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-(5-formyl-1H-pyrrol-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.