![(E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/488/488794-53-2.png)
(E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488794-53-2) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1589-1149, ETHYL 2-[(2E)-2-CYANO-3-(5-METHYLTHIOPHEN-2-YL)PROP-2-ENAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2E)-2-cyano-3-(5-methyl(2-thienyl))prop-2-enoylamino]-6-methyl-4,5,6 ,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 4.9652 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 978.4281 |
Chemical Identifiers
| CAS Number | 488794-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CC=C(S3)C)/C#N |
Product Overview
(E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488794-53-2), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.9652 indicates that (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-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)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 488794-53-2.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C21H22N2O3S2.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 414.11 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-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)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.