![isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate structure](/static/products/5503/550306-89-3.webp)
isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate (CAS 550306-89-3) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate, propan-2-yl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate, (E)-isopropyl 2-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-4-ethyl-5-methylthiophene-3-carboxylate, methylethyl 2-((2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)prop-2-enoylamino)-4-e thyl-5-methylthiophene-3-carboxylate, propan-2-yl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.56472 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 929.11743 |
Chemical Identifiers
| CAS Number | 550306-89-3 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C |
Product Overview
isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate (CAS 550306-89-3), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: propan-2-yl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate
The XLogP value of 4.56472 indicates that isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-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 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate is 550306-89-3.
What is the molecular formula of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate is C21H23NO5S.
What is the molecular weight of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate is 401.13 g/mol.
Where can I buy isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-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 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4-ethyl-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.