![1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide structure](/static/products/5367/536701-34-5.webp)
1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
TL;DR: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide (CAS 536701-34-5) is a chemical compound with molecular formula C24H32N2O4S and molecular weight 444.21 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-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, 1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C24H32N2O4S |
|---|---|
| Molecular Weight | 444.21 g/mol |
| LogP | 3.81974 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.20828 |
| Heavy Atoms | 31 |
| Complexity | 898.44257 |
Chemical Identifiers
| CAS Number | 536701-34-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCOC)OC)OC)C |
Product Overview
1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide (CAS 536701-34-5), with molecular formula C24H32N2O4S and molecular weight 444.21 g/mol. IUPAC: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
Property Insights of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
The XLogP value of 3.81974 indicates that 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-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-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-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 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide?
The CAS number of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide is 536701-34-5.
What is the molecular formula of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide?
The molecular formula of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide is C24H32N2O4S.
What is the molecular weight of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide?
The molecular weight of 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide is 444.21 g/mol.
Where can I buy 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide?
You can request a quote for 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-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-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.