N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 451461-83-9) is a chemical compound with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: BAS 01914075, N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-BENZYL-6,7-DIMETHOXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOTHIOAMIDE
| Molecular Formula | C20H24N2O2S |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 3.6976 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.15585 |
| Heavy Atoms | 25 |
| Complexity | 748.8614 |
Chemical Identifiers
| CAS Number | 451461-83-9 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1C(=S)NCC3=CC=CC=C3)OC)OC |
Product Overview
N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 451461-83-9), with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol. IUPAC: N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.6976 indicates that N-benzyl-6,7-dimethoxy-1-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 33.73 Ų, N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 3 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-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 451461-83-9.
What is the molecular formula of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C20H24N2O2S.
What is the molecular weight of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 356.16 g/mol.
Where can I buy N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-benzyl-6,7-dimethoxy-1-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 N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.