ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate
TL;DR: ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate (CAS 96238-16-3) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoate
Also Known As: BAS 00609509, ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate, BIM-0027251.P001, ethyl (2Z)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoate, ethyl (Z)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoate
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.49518 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 424.04147 |
Chemical Identifiers
| CAS Number | 96238-16-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=CN1C)/C#N |
Product Overview
ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate (CAS 96238-16-3), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: ethyl (Z)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoate.
Chemical Property Profile of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate
Property Insights of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate
The XLogP value of 1.49518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate. With a topological polar surface area (TPSA) of 55.02 Ų, ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate has 0 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-(1-methyl-1H-pyrrol-2-yl)acrylate?
The CAS number of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate is 96238-16-3.
What is the molecular formula of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate?
The molecular formula of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate is C11H12N2O2.
What is the molecular weight of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate?
The molecular weight of ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate is 204.09 g/mol.
Where can I buy ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate?
You can request a quote for ethyl 2-cyano-3-(1-methyl-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-(1-methyl-1H-pyrrol-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-3-(1-methyl-1H-pyrrol-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.