![6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide structure](/static/products/4075/407587-34-2.webp)
6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide
TL;DR: 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide (CAS 407587-34-2) is a chemical compound with molecular formula C21H23F3N2O2S and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide, 6-tert-butyl-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H23F3N2O2S |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.6522 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.14322 |
| Heavy Atoms | 29 |
| Complexity | 914.4879 |
Chemical Identifiers
| CAS Number | 407587-34-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C(F)(F)F |
Product Overview
6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide (CAS 407587-34-2), with molecular formula C21H23F3N2O2S and molecular weight 424.14 g/mol. IUPAC: 6-tert-butyl-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide
Property Insights of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide
The XLogP value of 5.6522 indicates that 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide?
The CAS number of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide is 407587-34-2.
What is the molecular formula of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide?
The molecular formula of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide is C21H23F3N2O2S.
What is the molecular weight of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide?
The molecular weight of 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide is 424.14 g/mol.
Where can I buy 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide?
You can request a quote for 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[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 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,1-Dimethylethyl)-4,5,6,7-tetrahydro-N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]benzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.