2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
TL;DR: 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide (CAS 1008968-91-9) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: BAS 03772934, 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide, 2-tosyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 1.59592 |
| Topological Polar Surface Area | 80.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 844.39716 |
Chemical Identifiers
| CAS Number | 1008968-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N |
Product Overview
2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide (CAS 1008968-91-9), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
Property Insights of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
The XLogP value of 1.59592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide. The TPSA of 80.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide. Following Lipinski's Rule of Five, 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide 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-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide?
The CAS number of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide is 1008968-91-9.
What is the molecular formula of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide?
The molecular formula of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide is C17H18N2O3S.
What is the molecular weight of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide?
The molecular weight of 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide is 330.10 g/mol.
Where can I buy 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide?
You can request a quote for 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.