![2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/500/500147-06-8.png)
2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 500147-06-8) is a chemical compound with molecular formula C21H21F6N3O2S and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-({1,1,1,3,3,3-hexafluoro-2-[(3-phenylpropanoyl)amino]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[2,2,2-TRIFLUORO-1-[(3-PHENYLPROPANOYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C21H21F6N3O2S |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 4.7076 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.12585 |
| Heavy Atoms | 33 |
| Complexity | 1003.4878 |
Chemical Identifiers
| CAS Number | 500147-06-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)C(=O)N |
Product Overview
2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 500147-06-8), with molecular formula C21H21F6N3O2S and molecular weight 493.13 g/mol. IUPAC: 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 4.7076 indicates that 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-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 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 3 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 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 500147-06-8.
What is the molecular formula of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C21H21F6N3O2S.
What is the molecular weight of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 493.13 g/mol.
Where can I buy 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-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 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.