3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide
TL;DR: 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide (CAS 218930-00-8) is a chemical compound with molecular formula C22H28N2O5S and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide, 6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, 6,7-Dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C22H28N2O5S |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 4.0457 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1719 |
| Heavy Atoms | 30 |
| Complexity | 908.9793 |
Chemical Identifiers
| CAS Number | 218930-00-8 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1C(=S)NC3=CC(=C(C(=C3)OC)OC)OC)OC)OC |
Product Overview
3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide (CAS 218930-00-8), with molecular formula C22H28N2O5S and molecular weight 432.17 g/mol. IUPAC: 6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide
Property Insights of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide
The XLogP value of 4.0457 indicates that 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide. Following Lipinski's Rule of Five, 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide has 1 hydrogen bond donor(s) and 6 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 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide?
The CAS number of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide is 218930-00-8.
What is the molecular formula of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide?
The molecular formula of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide is C22H28N2O5S.
What is the molecular weight of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide?
The molecular weight of 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide is 432.17 g/mol.
Where can I buy 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide?
You can request a quote for 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6,7-dimethoxy-1-methyl-N-(3,4,5-trimethoxyphenyl)-2(1H)-isoquinolinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.