![(E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/498/498538-05-9.png)
(E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 498538-05-9) 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.
propan-2-yl 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-{(2E)-2-cyano-3-[5-(4-nitrophenyl)(2-furyl)]prop-2-enoylamino}-4 ,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H23N3O6S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 5.90598 |
| 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 | 1391.8892 |
Chemical Identifiers
| CAS Number | 498538-05-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C#N |
Product Overview
(E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 498538-05-9), with molecular formula C26H23N3O6S and molecular weight 505.13 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.90598 indicates that (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-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 135.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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 (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 498538-05-9.
What is the molecular formula of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C26H23N3O6S.
What is the molecular weight of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 505.13 g/mol.
Where can I buy (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-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)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-isopropyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.