![ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/488/488839-95-8.png)
ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 488839-95-8) is a chemical compound with molecular formula C26H23N3O6S and molecular weight 505.13 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-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, (E)-ethyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{(2E)-2-cyano-3-[5-(3-nitrophenyl)(2-furyl)]prop-2-enoylamino}-6-methy l-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C26H23N3O6S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 5.76348 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.13077 |
| Heavy Atoms | 36 |
| Complexity | 1411.1392 |
Chemical Identifiers
| CAS Number | 488839-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C#N |
Product Overview
ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 488839-95-8), with molecular formula C26H23N3O6S and molecular weight 505.13 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.76348 indicates that ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-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 135.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 488839-95-8.
What is the molecular formula of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C26H23N3O6S.
What is the molecular weight of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 505.13 g/mol.
Where can I buy ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-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-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.