![(12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone structure](/static/products/956/956439-55-7.png)
(12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone
TL;DR: (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone (CAS 956439-55-7) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S)-6-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone, (12aS)-2-(2-methylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (S)-2-isobutyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 1.9194 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 792.66064 |
Chemical Identifiers
| CAS Number | 956439-55-7 |
|---|---|
| SMILES | CC(C)CN1CC(=O)N2CC3=C(C[C@H]2C1=O)C4=CC=CC=C4N3 |
Product Overview
(12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone (CAS 956439-55-7), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: (8S)-6-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
Chemical Property Profile of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone
Property Insights of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone
The XLogP value of 1.9194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone. With a topological polar surface area (TPSA) of 56.41 Ų, (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone has 1 hydrogen bond donor(s) and 2 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 (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone?
The CAS number of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone is 956439-55-7.
What is the molecular formula of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone?
The molecular formula of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone is C18H21N3O2.
What is the molecular weight of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone?
The molecular weight of (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone is 311.16 g/mol.
Where can I buy (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone?
You can request a quote for (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone?
Yes, KEHONG BIO provides custom synthesis services for (12aS)-2-isobutyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.