1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 536701-39-0) is a chemical compound with molecular formula C28H32N2O3S and molecular weight 476.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, F0574-0343, 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C28H32N2O3S |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | 6.00426 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.21338 |
| Heavy Atoms | 34 |
| Complexity | 1174.0139 |
Chemical Identifiers
| CAS Number | 536701-39-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC(=CC(=C4)C)C)OC)OC |
Product Overview
1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 536701-39-0), with molecular formula C28H32N2O3S and molecular weight 476.21 g/mol. IUPAC: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 6.00426 indicates that 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.96 Ų, 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide 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 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 536701-39-0.
What is the molecular formula of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C28H32N2O3S.
What is the molecular weight of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 476.21 g/mol.
Where can I buy 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-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 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.