![ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate structure](/static/products/1164/1164516-12-4.webp)
ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate
TL;DR: ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate (CAS 1164516-12-4) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoate
Also Known As: ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate, (E)-ethyl 2-cyano-3-(2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)acrylate, ethyl 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]acrylate, ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoate
| Molecular Formula | C19H20N2O2 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 3.87264 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.15247 |
| Heavy Atoms | 23 |
| Complexity | 790.0125 |
Chemical Identifiers
| CAS Number | 1164516-12-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=C(C=C2)C)C)/C#N |
Product Overview
ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate (CAS 1164516-12-4), with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol. IUPAC: ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoate.
Chemical Property Profile of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate
Property Insights of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate
The XLogP value of 3.87264 indicates that ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.02 Ų, ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate 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 (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate?
The CAS number of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate is 1164516-12-4.
What is the molecular formula of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate?
The molecular formula of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate is C19H20N2O2.
What is the molecular weight of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate?
The molecular weight of ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate is 308.15 g/mol.
Where can I buy ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate?
You can request a quote for ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.