trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole
TL;DR: trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole (CAS 50302-67-5) is a chemical compound with molecular formula C20H21N3 and molecular weight 303.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Also Known As: trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-6-phenyl-, (E)-(+-)-, 6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole, (6S,12aS)-6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole, RefChem:375989
| Molecular Formula | C20H21N3 |
|---|---|
| Molecular Weight | 303.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 31.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.17355 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 50302-67-5 |
|---|---|
| SMILES | C1CN2[C@@H](CC3=C([C@@H]2C4=CC=CC=C4)NC5=CC=CC=C35)CN1 |
| InChIKey | KEPGSYZBEGWSGA-YWZLYKJASA-N |
Product Overview
trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole (CAS 50302-67-5), with molecular formula C20H21N3 and molecular weight 303.17 g/mol. IUPAC: (2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.
Chemical Property Profile of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole
Property Insights of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole
The XLogP value of 3.1 indicates that trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.1 Ų, trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole 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 trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole?
The CAS number of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole is 50302-67-5.
What is the molecular formula of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole?
The molecular formula of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole is C20H21N3.
What is the molecular weight of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole?
The molecular weight of trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole is 303.17 g/mol.
Where can I buy trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole?
You can request a quote for trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole?
Yes, KEHONG BIO provides custom synthesis services for trans-(+-)-6-Phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.