Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-
TL;DR: Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- (CAS 77294-02-1) is a chemical compound with molecular formula C30H29F2N3 and molecular weight 469.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4,4-bis(4-fluorophenyl)but-3-enyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Also Known As: Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-, 2-[4,4-Bis(4-fluorophenyl)but-3-en-1-yl]-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-2-(4,4-BIS(4-FLUOROPHENYL)-3-BUTENYL)-, BRN 4603074, RefChem:375981
| Molecular Formula | C30H29F2N3 |
|---|---|
| Molecular Weight | 469.23 g/mol |
| LogP | 6.0104 |
| Topological Polar Surface Area | 22.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.23294 |
| Heavy Atoms | 35 |
| Complexity | 1307.393 |
Chemical Identifiers
| CAS Number | 77294-02-1 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCC=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C6=CC=CC=C6N3 |
Product Overview
Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- (CAS 77294-02-1), with molecular formula C30H29F2N3 and molecular weight 469.23 g/mol. IUPAC: 6-[4,4-bis(4-fluorophenyl)but-3-enyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.
Chemical Property Profile of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-
Property Insights of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-
The XLogP value of 6.0104 indicates that Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.27 Ų, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-?
The CAS number of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- is 77294-02-1.
What is the molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-?
The molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- is C30H29F2N3.
What is the molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-?
The molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- is 469.23 g/mol.
Where can I buy Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-?
You can request a quote for Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(4,4-bis(4-fluorophenyl)-3-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.