1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
TL;DR: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CAS 879311-20-3) is a chemical compound with molecular formula C15H19N5O3S and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone
| Molecular Formula | C15H19N5O3S |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 0.9043 |
| Topological Polar Surface Area | 82.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.12085 |
| Heavy Atoms | 24 |
| Complexity | 748.70593 |
Chemical Identifiers
| CAS Number | 879311-20-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC |
Product Overview
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CAS 879311-20-3), with molecular formula C15H19N5O3S and molecular weight 349.12 g/mol. IUPAC: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Property Insights of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
The XLogP value of 0.9043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone. The TPSA of 82.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has 0 hydrogen bond donor(s) and 7 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 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The CAS number of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is 879311-20-3.
What is the molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is C15H19N5O3S.
What is the molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is 349.12 g/mol.
Where can I buy 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
You can request a quote for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.