![(E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/500/500271-77-2.png)
(E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 500271-77-2) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 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-methylfuran-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-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-[(2E)-2-cyano-3-(5-methyl(2-furyl))prop-2-enoylamino]-4,5,6,7-te trahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-{[(2E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 4.6392 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 975.183 |
Chemical Identifiers
| CAS Number | 500271-77-2 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C |
Product Overview
(E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 500271-77-2), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-(5-methylfuran-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-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.6392 indicates that (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-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-methylfuran-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-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 500271-77-2.
What is the molecular formula of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C21H22N2O4S.
What is the molecular weight of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 398.13 g/mol.
Where can I buy (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-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-methylfuran-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-methylfuran-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-methylfuran-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.