![(12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione structure](/static/products/956/956043-64-4.png)
(12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
TL;DR: (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 956043-64-4) is a chemical compound with molecular formula C26H26N4O2 and molecular weight 426.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S)-6-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-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-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (S)-2-(2-(1H-indol-3-yl)ethyl)-6,6-dimethyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
| Molecular Formula | C26H26N4O2 |
|---|---|
| Molecular Weight | 426.21 g/mol |
| LogP | 3.7225 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.20557 |
| Heavy Atoms | 32 |
| Complexity | 1379.0153 |
Chemical Identifiers
| CAS Number | 956043-64-4 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)CCC4=CNC5=CC=CC=C54)C6=CC=CC=C6N2)C |
Product Overview
(12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 956043-64-4), with molecular formula C26H26N4O2 and molecular weight 426.21 g/mol. IUPAC: (8S)-6-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-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-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Property Insights of (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
The XLogP value of 3.7225 indicates that (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione. Following Lipinski's Rule of Five, (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione has 2 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-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The CAS number of (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 956043-64-4.
What is the molecular formula of (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular formula of (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is C26H26N4O2.
What is the molecular weight of (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular weight of (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 426.21 g/mol.
Where can I buy (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
You can request a quote for (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.