![isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate structure](/static/products/5415/541518-65-4.webp)
isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate (CAS 541518-65-4) is a chemical compound with molecular formula C20H22FNO3S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-ethyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate
Also Known As: isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate, propan-2-yl 4-ethyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate, (E)-isopropyl 4-ethyl-2-(3-(4-fluorophenyl)acrylamido)-5-methylthiophene-3-carboxylate, methylethyl 2-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]-4-ethyl-5-methylthiop hene-3-carboxylate, propan-2-yl 4-ethyl-2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C20H22FNO3S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 4.97512 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.13043 |
| Heavy Atoms | 26 |
| Complexity | 822.32697 |
Chemical Identifiers
| CAS Number | 541518-65-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)F)C |
Product Overview
isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate (CAS 541518-65-4), with molecular formula C20H22FNO3S and molecular weight 375.13 g/mol. IUPAC: propan-2-yl 4-ethyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate
The XLogP value of 4.97512 indicates that isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate has 1 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 isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate is 541518-65-4.
What is the molecular formula of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate is C20H22FNO3S.
What is the molecular weight of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate is 375.13 g/mol.
Where can I buy isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-ethyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.