N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide
TL;DR: N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide (CAS 328022-63-5) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide
Also Known As: BAS 04280337, N-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbothioyl)benzamide, N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide, N-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonothioyl)benzamide, N-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)-benzamide
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 2.7768 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 792.7563 |
Chemical Identifiers
| CAS Number | 328022-63-5 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=S)NC(=O)C3=CC=CC=C3)OC |
Product Overview
N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide (CAS 328022-63-5), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide.
Chemical Property Profile of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide
Property Insights of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide
The XLogP value of 2.7768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide. With a topological polar surface area (TPSA) of 50.8 Ų, N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide 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-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide?
The CAS number of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide is 328022-63-5.
What is the molecular formula of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide?
The molecular formula of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide is C19H20N2O3S.
What is the molecular weight of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide?
The molecular weight of N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide is 356.12 g/mol.
Where can I buy N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide?
You can request a quote for N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.