Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-
TL;DR: Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- (CAS 77294-00-9) is a chemical compound with molecular formula C30H32FN3O and molecular weight 469.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-1-phenyl-4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-ol
Also Known As: Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-, 1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)-1-phenylbutan-1-ol, BRN 4605522, RefChem:375994
| Molecular Formula | C30H32FN3O |
|---|---|
| Molecular Weight | 469.25 g/mol |
| LogP | 5.0656 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.25293 |
| Heavy Atoms | 35 |
| Complexity | 1302.4481 |
Chemical Identifiers
| CAS Number | 77294-00-9 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCCC(C4=CC=CC=C4)(C5=CC=C(C=C5)F)O)C6=CC=CC=C6N3 |
Product Overview
Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- (CAS 77294-00-9), with molecular formula C30H32FN3O and molecular weight 469.25 g/mol. IUPAC: 1-(4-fluorophenyl)-1-phenyl-4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-ol.
Chemical Property Profile of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-
Property Insights of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-
The XLogP value of 5.0656 indicates that Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- 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-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- has 2 hydrogen bond donor(s) and 3 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-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-?
The CAS number of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- is 77294-00-9.
What is the molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-?
The molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- is C30H32FN3O.
What is the molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-?
The molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- is 469.25 g/mol.
Where can I buy Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-?
You can request a quote for Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- 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-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-alpha-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.