N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
TL;DR: N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CAS 4045-05-0) is a chemical compound with molecular formula C17H13Cl2F3N2O3S and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
Also Known As: N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide, N-(3,5-Dichlorophenyl)-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
| Molecular Formula | C17H13Cl2F3N2O3S |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 4.2412 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.9976 |
| Heavy Atoms | 28 |
| Complexity | 1022.1785 |
Chemical Identifiers
| CAS Number | 4045-05-0 |
|---|---|
| SMILES | C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)Cl)Cl)C(=O)C(F)(F)F |
Product Overview
N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CAS 4045-05-0), with molecular formula C17H13Cl2F3N2O3S and molecular weight 452.00 g/mol. IUPAC: N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
Chemical Property Profile of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
Property Insights of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
The XLogP value of 4.2412 indicates that N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide. Following Lipinski's Rule of Five, N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide has 1 hydrogen bond donor(s) and 3 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 N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The CAS number of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is 4045-05-0.
What is the molecular formula of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The molecular formula of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is C17H13Cl2F3N2O3S.
What is the molecular weight of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The molecular weight of N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is 452.00 g/mol.
Where can I buy N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
You can request a quote for N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.