6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 443101-88-0) is a chemical compound with molecular formula C27H30N2O5S and molecular weight 494.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, F0574-0131, 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C27H30N2O5S |
|---|---|
| Molecular Weight | 494.19 g/mol |
| LogP | 5.0962 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.18753 |
| Heavy Atoms | 35 |
| Complexity | 1185.9833 |
Chemical Identifiers
| CAS Number | 443101-88-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC |
Product Overview
6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 443101-88-0), with molecular formula C27H30N2O5S and molecular weight 494.19 g/mol. IUPAC: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 5.0962 indicates that 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide 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 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide. Following Lipinski's Rule of Five, 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 443101-88-0.
What is the molecular formula of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C27H30N2O5S.
What is the molecular weight of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 494.19 g/mol.
Where can I buy 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-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 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-N-(3-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.