2-Azaemetine
TL;DR: 2-Azaemetine (CAS 66833-20-3) is a chemical compound with molecular formula C28H39N3O4 and molecular weight 481.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
Also Known As: 2-Azaemetine, 2H-Pyrazino(2,1-a)isoquinoline, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)-, 2-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline, 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
| Molecular Formula | C28H39N3O4 |
|---|---|
| Molecular Weight | 481.29 g/mol |
| LogP | 3.6014 |
| Topological Polar Surface Area | 55.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.29407 |
| Heavy Atoms | 35 |
| Complexity | 1056.9833 |
Chemical Identifiers
| CAS Number | 66833-20-3 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CN1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC |
Product Overview
2-Azaemetine (CAS 66833-20-3), with molecular formula C28H39N3O4 and molecular weight 481.29 g/mol. IUPAC: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
Chemical Property Profile of 2-Azaemetine
Property Insights of 2-Azaemetine
The XLogP value of 3.6014 indicates that 2-Azaemetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.43 Ų, 2-Azaemetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azaemetine has 1 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 2-Azaemetine?
The CAS number of 2-Azaemetine is 66833-20-3.
What is the molecular formula of 2-Azaemetine?
The molecular formula of 2-Azaemetine is C28H39N3O4.
What is the molecular weight of 2-Azaemetine?
The molecular weight of 2-Azaemetine is 481.29 g/mol.
Where can I buy 2-Azaemetine?
You can request a quote for 2-Azaemetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azaemetine?
Yes, KEHONG BIO provides custom synthesis services for 2-Azaemetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.