![ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate structure](/static/products/871/871925-93-8.png)
ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
TL;DR: ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate (CAS 871925-93-8) is a chemical compound with molecular formula C19H18FN3O3S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C19H18FN3O3S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.7341 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1053 |
| Heavy Atoms | 27 |
| Complexity | 955.8149 |
Chemical Identifiers
| CAS Number | 871925-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)N/C(=C(\C#N)/C(=O)N)/C |
Product Overview
ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate (CAS 871925-93-8), with molecular formula C19H18FN3O3S and molecular weight 387.11 g/mol. IUPAC: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Property Insights of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 3.7341 indicates that ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is 871925-93-8.
What is the molecular formula of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is C19H18FN3O3S.
What is the molecular weight of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is 387.11 g/mol.
Where can I buy ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(1-carbamoyl-1-cyanoprop-1-en-2-yl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.