![(2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid structure](/static/products/354/354551-76-1.png)
(2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
TL;DR: (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid (CAS 354551-76-1) is a chemical compound with molecular formula C17H21NO5S and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid, (E)-4-((3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid, (E)-4-[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid, benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-ethyl ester
| Molecular Formula | C17H21NO5S |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.019 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.11404 |
| Heavy Atoms | 24 |
| Complexity | 676.7659 |
Chemical Identifiers
| CAS Number | 354551-76-1 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid (CAS 354551-76-1), with molecular formula C17H21NO5S and molecular weight 351.11 g/mol. IUPAC: (E)-4-[(3-ethoxycarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Property Insights of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
The XLogP value of 3.019 indicates that (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid has 2 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 (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid is 354551-76-1.
What is the molecular formula of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid is C17H21NO5S.
What is the molecular weight of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid is 351.11 g/mol.
Where can I buy (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.