![isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/4449/444935-98-2.webp)
isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 444935-98-2) is a chemical compound with molecular formula C20H20FNO3S and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, propan-2-yl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, (E)-isopropyl 2-(3-(4-fluorophenyl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ISOPROPYL 2-{[(E)-3-(4-FLUOROPHENYL)-2-PROPENOYL]AMINO}-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C20H20FNO3S |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 4.593 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.1148 |
| Heavy Atoms | 26 |
| Complexity | 852.6864 |
Chemical Identifiers
| CAS Number | 444935-98-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCC2)NC(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 444935-98-2), with molecular formula C20H20FNO3S and molecular weight 373.11 g/mol. IUPAC: propan-2-yl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 4.593 indicates that isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 444935-98-2.
What is the molecular formula of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C20H20FNO3S.
What is the molecular weight of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 373.11 g/mol.
Where can I buy isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.