![(E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/488/488706-45-2.png)
(E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488706-45-2) is a chemical compound with molecular formula C26H22Cl2N2O4S and molecular weight 528.07 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-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-{(2E)-3-[5-(2,4-dichlorophenyl)(2-furyl)]-2-cyanoprop-2-enoylami no}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-({(2E)-2-cyano-3-[5-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H22Cl2N2O4S |
|---|---|
| Molecular Weight | 528.07 g/mol |
| LogP | 7.30458 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.06775 |
| Heavy Atoms | 35 |
| Complexity | 1364.0741 |
Chemical Identifiers
| CAS Number | 488706-45-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)/C#N |
Product Overview
(E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488706-45-2), with molecular formula C26H22Cl2N2O4S and molecular weight 528.07 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 7.30458 indicates that (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)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 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 488706-45-2.
What is the molecular formula of (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C26H22Cl2N2O4S.
What is the molecular weight of (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 528.07 g/mol.
Where can I buy (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)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.