N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 748024-45-5) is a chemical compound with molecular formula C23H31N3O4S2 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C23H31N3O4S2 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 3.79782 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.1756 |
| Heavy Atoms | 32 |
| Complexity | 1098.6606 |
Chemical Identifiers
| CAS Number | 748024-45-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC |
Product Overview
N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 748024-45-5), with molecular formula C23H31N3O4S2 and molecular weight 477.18 g/mol. IUPAC: N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.79782 indicates that N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide. Following Lipinski's Rule of Five, N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-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 N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 748024-45-5.
What is the molecular formula of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C23H31N3O4S2.
What is the molecular weight of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 477.18 g/mol.
Where can I buy N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(N,N-diethylsulfamoyl)-2-methylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.