![Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5505/5505-83-9.webp)
Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 5505-83-9) is a chemical compound with molecular formula C27H26IN3O3S and molecular weight 599.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-[[2-CYANO-3-[1-(4-IODOPHENYL)-2,5-DIMETHYL-PYRROL-3-YL]PROP-2-ENOYL]AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-{2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H26IN3O3S |
|---|---|
| Molecular Weight | 599.07 g/mol |
| LogP | 6.36142 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 599.074 |
| Heavy Atoms | 35 |
| Complexity | 1359.689 |
Chemical Identifiers
| CAS Number | 5505-83-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)I)C)C#N |
Product Overview
Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 5505-83-9), with molecular formula C27H26IN3O3S and molecular weight 599.07 g/mol. IUPAC: ethyl 2-[[2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.36142 indicates that Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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 Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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 Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 5505-83-9.
What is the molecular formula of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C27H26IN3O3S.
What is the molecular weight of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 599.07 g/mol.
Where can I buy Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.