![2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide structure](/static/products/4750/475041-47-5.webp)
2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
TL;DR: 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 475041-47-5) is a chemical compound with molecular formula C30H28N2O4S and molecular weight 512.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, A2960/0124639, N-(3-phenoxybenzyl)-2-tosyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, {2-[(4-methylphenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-[(3-phenoxyp henyl)methyl]carboxamide, 2-(4-METHYLBENZENESULFONYL)-N-[(3-PHENOXYPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE
| Molecular Formula | C30H28N2O4S |
|---|---|
| Molecular Weight | 512.18 g/mol |
| LogP | 5.21932 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.177 |
| Heavy Atoms | 37 |
| Complexity | 1502.3699 |
Chemical Identifiers
| CAS Number | 475041-47-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5 |
Product Overview
2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 475041-47-5), with molecular formula C30H28N2O4S and molecular weight 512.18 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Property Insights of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
The XLogP value of 5.21932 indicates that 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-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-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The CAS number of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 475041-47-5.
What is the molecular formula of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular formula of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C30H28N2O4S.
What is the molecular weight of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular weight of 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 512.18 g/mol.
Where can I buy 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
You can request a quote for 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-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-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methylphenyl)sulfonyl]-N-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.