![2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide structure](/static/products/5507/5507-73-3.webp)
2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
TL;DR: 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CAS 5507-73-3) is a chemical compound with molecular formula C21H17F3N2O4S2 and molecular weight 482.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide, 2-(thiophene-2-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
| Molecular Formula | C21H17F3N2O4S2 |
|---|---|
| Molecular Weight | 482.06 g/mol |
| LogP | 4.401 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.0582 |
| Heavy Atoms | 32 |
| Complexity | 1210.5967 |
Chemical Identifiers
| CAS Number | 5507-73-3 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F |
Product Overview
2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CAS 5507-73-3), with molecular formula C21H17F3N2O4S2 and molecular weight 482.06 g/mol. IUPAC: 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Property Insights of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
The XLogP value of 4.401 indicates that 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has 1 hydrogen bond donor(s) and 5 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-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The CAS number of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is 5507-73-3.
What is the molecular formula of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The molecular formula of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is C21H17F3N2O4S2.
What is the molecular weight of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The molecular weight of 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is 482.06 g/mol.
Where can I buy 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
You can request a quote for 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-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-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.