![(E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3142/314282-82-1.webp)
(E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 314282-82-1) is a chemical compound with molecular formula C16H19NO5S and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1443-5271, METHYL 2-[(2E)-4-ETHOXY-4-OXOBUT-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[(4-ethoxy-4-oxo-2-butenoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H19NO5S |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.4713 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0984 |
| Heavy Atoms | 23 |
| Complexity | 647.1409 |
Chemical Identifiers
| CAS Number | 314282-82-1 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
Product Overview
(E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 314282-82-1), with molecular formula C16H19NO5S and molecular weight 337.10 g/mol. IUPAC: methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 2.4713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 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 (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 314282-82-1.
What is the molecular formula of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C16H19NO5S.
What is the molecular weight of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 337.10 g/mol.
Where can I buy (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[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 (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(4-ethoxy-4-oxobut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.