Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-
TL;DR: Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- (CAS 50302-72-2) is a chemical compound with molecular formula C30H30FN3O and molecular weight 467.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one
Also Known As: Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-, 1-(4-Fluorophenyl)-4-[(6S,12aS)-6-phenyl-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]butan-1-one, BRN 5326811, RefChem:331423
| Molecular Formula | C30H30FN3O |
|---|---|
| Molecular Weight | 467.24 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.2373 |
| Heavy Atoms | 35 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 50302-72-2 |
|---|---|
| SMILES | C1CN2[C@@H](CC3=C([C@@H]2C4=CC=CC=C4)NC5=CC=CC=C35)CN1CCCC(=O)C6=CC=C(C=C6)F |
| InChIKey | ISZXBPJJMGOAIU-NGQVCNFZSA-N |
Product Overview
Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- (CAS 50302-72-2), with molecular formula C30H30FN3O and molecular weight 467.24 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-
Property Insights of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-
The XLogP value of 5.3 indicates that Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-?
The CAS number of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- is 50302-72-2.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-?
The molecular formula of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- is C30H30FN3O.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-?
The molecular weight of Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- is 467.24 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-?
You can request a quote for Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.