1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 536698-42-7) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 3.7487 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 823.27673 |
Chemical Identifiers
| CAS Number | 536698-42-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC)OC)OC |
Product Overview
1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 536698-42-7), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.7487 indicates that 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-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-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 4 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-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 536698-42-7.
What is the molecular formula of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C22H28N2O3S.
What is the molecular weight of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 400.18 g/mol.
Where can I buy 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-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-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.