![(E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/488/488129-68-6.png)
(E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488129-68-6) is a chemical compound with molecular formula C31H29N3O3S and molecular weight 523.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{(2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoylamino}-6-methyl-4,5,6, 7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C31H29N3O3S |
|---|---|
| Molecular Weight | 523.19 g/mol |
| LogP | 6.59828 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.193 |
| Heavy Atoms | 38 |
| Complexity | 1573.1373 |
Chemical Identifiers
| CAS Number | 488129-68-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C#N |
Product Overview
(E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488129-68-6), with molecular formula C31H29N3O3S and molecular weight 523.19 g/mol. IUPAC: ethyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 6.59828 indicates that (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-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-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-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-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 488129-68-6.
What is the molecular formula of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C31H29N3O3S.
What is the molecular weight of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 523.19 g/mol.
Where can I buy (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-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-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-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.