6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 332032-79-8) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: ChemDiv3_004727, IDI1_022637, BAS 04280374, 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, BRD-K78827444-001-01-0
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 332032-79-8 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=CC=C3)OC |
| InChIKey | RRYQOPSEGQPMDL-UHFFFAOYSA-N |
Product Overview
6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 332032-79-8), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.2 indicates that 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide. Following Lipinski's Rule of Five, 6,7-dimethoxy-N-phenyl-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 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 332032-79-8.
What is the molecular formula of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C18H20N2O2S.
What is the molecular weight of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 328.12 g/mol.
Where can I buy 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for 6,7-dimethoxy-N-phenyl-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-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.