6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
TL;DR: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 374608-27-2) is a chemical compound with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, 6,7-dimethoxy-N-tosyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, 6,7-dimethoxy-N-[(4-methylphenyl)sulfonyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide, [(6,7-dimethoxy(2-1,2,3,4-tetrahydroisoquinolyl))thioxomethyl][(4-methylphenyl )sulfonyl]amine
| Molecular Formula | C19H22N2O4S2 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 2.63372 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1021 |
| Heavy Atoms | 27 |
| Complexity | 956.4201 |
Chemical Identifiers
| CAS Number | 374608-27-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC |
Product Overview
6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 374608-27-2), with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol. IUPAC: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Property Insights of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
The XLogP value of 2.63372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide. Following Lipinski's Rule of Five, 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide 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 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The CAS number of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 374608-27-2.
What is the molecular formula of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular formula of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide is C19H22N2O4S2.
What is the molecular weight of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular weight of 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 406.10 g/mol.
Where can I buy 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
You can request a quote for 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.