![(E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/489/489440-75-7.png)
(E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 489440-75-7) is a chemical compound with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[(2E)-2-cyano-3-(2-fluorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzo[b ]thiophene-3-carboxamide, 2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H16FN3O2S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.41058 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.09473 |
| Heavy Atoms | 26 |
| Complexity | 956.1792 |
Chemical Identifiers
| CAS Number | 489440-75-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC=CC=C3F)/C#N)C(=O)N |
Product Overview
(E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 489440-75-7), with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol. IUPAC: 2-[[(E)-2-cyano-3-(2-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 3.41058 indicates that (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 4 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)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 489440-75-7.
What is the molecular formula of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C19H16FN3O2S.
What is the molecular weight of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 369.09 g/mol.
Where can I buy (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.