![(R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate structure](/static/products/956/956759-31-2.png)
(R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate
TL;DR: (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate (CAS 956759-31-2) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(11aR)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]carbamate
Also Known As: (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate, tert-butyl [(11aR)-1,4-dioxo-1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinolin-2-yl]carbamate, tert-butyl N-[(11aR)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]carbamate
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 1.2218 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 695.3212 |
Chemical Identifiers
| CAS Number | 956759-31-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NN1CC(=O)N2CC3=CC=CC=C3C[C@@H]2C1=O |
Product Overview
(R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate (CAS 956759-31-2), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: tert-butyl N-[(11aR)-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]carbamate.
Chemical Property Profile of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate
Property Insights of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate
The XLogP value of 1.2218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate. Following Lipinski's Rule of Five, (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate 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 (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate?
The CAS number of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate is 956759-31-2.
What is the molecular formula of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate?
The molecular formula of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate is C17H21N3O4.
What is the molecular weight of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate?
The molecular weight of (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate is 331.15 g/mol.
Where can I buy (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate?
You can request a quote for (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (R)-tert-butyl (1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.