![isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate structure](/static/products/5437/543716-56-9.webp)
isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate (CAS 543716-56-9) is a chemical compound with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(diethylcarbamoyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate, propan-2-yl 5-(diethylcarbamoyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate, (E)-isopropyl 5-(diethylcarbamoyl)-2-(3-(furan-2-yl)acrylamido)-4-methylthiophene-3-carboxylate, methylethyl 2-((2E)-3-(2-furyl)prop-2-enoylamino)-5-(N,N-diethylcarbamoyl)-4-m ethylthiophene-3-carboxylate, propan-2-yl 5-(diethylcarbamoyl)-2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H26N2O5S |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 4.34862 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.15625 |
| Heavy Atoms | 29 |
| Complexity | 892.5682 |
Chemical Identifiers
| CAS Number | 543716-56-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=CO2)C(=O)OC(C)C)C |
Product Overview
isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate (CAS 543716-56-9), with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol. IUPAC: propan-2-yl 5-(diethylcarbamoyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate
The XLogP value of 4.34862 indicates that isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate 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 isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate is 543716-56-9.
What is the molecular formula of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate is C21H26N2O5S.
What is the molecular weight of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate is 418.16 g/mol.
Where can I buy isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-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 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.