![4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate structure](/static/products/7309/730944-17-9.webp)
4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate
TL;DR: 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate (CAS 730944-17-9) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
Also Known As: 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate, [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.33178 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 938.21704 |
Chemical Identifiers
| CAS Number | 730944-17-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OC(=O)C3=CC=CS3 |
Product Overview
4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate (CAS 730944-17-9), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate.
Chemical Property Profile of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate
Property Insights of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate
The XLogP value of 4.33178 indicates that 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate has 1 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 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate?
The CAS number of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate is 730944-17-9.
What is the molecular formula of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate?
The molecular formula of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate is C22H22N2O4S.
What is the molecular weight of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate?
The molecular weight of 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate is 410.13 g/mol.
Where can I buy 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate?
You can request a quote for 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]-2-methoxyphenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.