ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate
TL;DR: ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate (CAS 690643-36-8) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-(2,5-dimethylpyrrol-1-yl)-3-methylthiophene-2-carboxylate
Also Known As: ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate, F1142-1755, ethyl 4-cyano-5-(2,5-dimethylpyrrol-1-yl)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(2,5-dimethyl-1-pyrrolyl)-3-methyl-2-thenoate
| Molecular Formula | C15H16N2O2S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.51244 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.09326 |
| Heavy Atoms | 20 |
| Complexity | 684.76245 |
Chemical Identifiers
| CAS Number | 690643-36-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N2C(=CC=C2C)C)C#N)C |
Product Overview
ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate (CAS 690643-36-8), with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol. IUPAC: ethyl 4-cyano-5-(2,5-dimethylpyrrol-1-yl)-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate
Property Insights of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate
The XLogP value of 3.51244 indicates that ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate 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 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate 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 ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate?
The CAS number of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate is 690643-36-8.
What is the molecular formula of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate?
The molecular formula of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate is C15H16N2O2S.
What is the molecular weight of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate?
The molecular weight of ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate is 288.09 g/mol.
Where can I buy ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate?
You can request a quote for ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-cyano-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.