![N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide structure](/static/products/5367/536701-32-3.webp)
N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
TL;DR: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 536701-32-3) is a chemical compound with molecular formula C25H34N2O3S and molecular weight 442.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide, F0574-0336, N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, N-butyl-1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-Butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C25H34N2O3S |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 4.97344 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.229 |
| Heavy Atoms | 31 |
| Complexity | 895.6304 |
Chemical Identifiers
| CAS Number | 536701-32-3 |
|---|---|
| SMILES | CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC |
Product Overview
N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 536701-32-3), with molecular formula C25H34N2O3S and molecular weight 442.23 g/mol. IUPAC: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Property Insights of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
The XLogP value of 4.97344 indicates that N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-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, N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-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 N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The CAS number of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 536701-32-3.
What is the molecular formula of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular formula of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide is C25H34N2O3S.
What is the molecular weight of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular weight of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 442.23 g/mol.
Where can I buy N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
You can request a quote for N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.