![(E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/497/497244-76-5.png)
(E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 497244-76-5) is a chemical compound with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(1-methylindol-3-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-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1589-1151, ethyl 2-[(2E)-2-cyano-3-(1-methyl-1H-indol-3-yl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoylamino]-6-methyl-4,5,6, 7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H25N3O3S |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 5.08698 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.16165 |
| Heavy Atoms | 32 |
| Complexity | 1275.5632 |
Chemical Identifiers
| CAS Number | 497244-76-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)C)/C#N |
Product Overview
(E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 497244-76-5), with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(1-methylindol-3-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-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.08698 indicates that (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-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 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 497244-76-5.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C25H25N3O3S.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 447.16 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-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.