2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 37597-20-9) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-nitroso-3,4-dihydro-1H-isoquinoline
Also Known As: Butazidamine, 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, NIOSH/NX5070100, 6,7-Dimethoxy-2-nitroso-1,2,3,4-tetrahydroisoquinoline, 2-Nitroso-6,7-dimethoxytetrahydroisoquinoline
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.7433 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 406.4613 |
Chemical Identifiers
| CAS Number | 37597-20-9 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)N=O)OC |
Product Overview
2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 37597-20-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 6,7-dimethoxy-2-nitroso-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 1.7433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 51.13 Ų, 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has 0 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 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is 37597-20-9.
What is the molecular formula of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is C11H14N2O3.
What is the molecular weight of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is 222.10 g/mol.
Where can I buy 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitroso-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.