![methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate structure](/static/products/5601/560105-77-3.webp)
methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
TL;DR: methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate (CAS 560105-77-3) is a chemical compound with molecular formula C21H23FN2O4S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate, methyl 5-[(diethylamino)carbonyl]-2-{[3-(4-fluorophenyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate, methyl 2-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]-5-(N,N-diethylcarbamoyl)-4 -methylthiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H23FN2O4S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.11612 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.13626 |
| Heavy Atoms | 29 |
| Complexity | 930.9029 |
Chemical Identifiers
| CAS Number | 560105-77-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)F)C(=O)OC)C |
Product Overview
methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate (CAS 560105-77-3), with molecular formula C21H23FN2O4S and molecular weight 418.14 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
Property Insights of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
The XLogP value of 4.11612 indicates that methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate?
The CAS number of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate is 560105-77-3.
What is the molecular formula of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate is C21H23FN2O4S.
What is the molecular weight of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate is 418.14 g/mol.
Where can I buy methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-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 methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(diethylcarbamoyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.