2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
TL;DR: 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 475041-40-8) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 2-(4-methylphenyl)sulfonyl-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, {2-[(4-methylphenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 3.46952 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 1158.8862 |
Chemical Identifiers
| CAS Number | 475041-40-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC=CC=C4 |
Product Overview
2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 475041-40-8), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Property Insights of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
The XLogP value of 3.46952 indicates that 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide 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 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide 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 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The CAS number of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 475041-40-8.
What is the molecular formula of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular formula of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C25H26N2O3S.
What is the molecular weight of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular weight of 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 434.17 g/mol.
Where can I buy 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
You can request a quote for 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-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-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylbenzenesulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.