Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl-
TL;DR: Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- (CAS 42021-40-9) is a chemical compound with molecular formula C24H26BrN3O and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-4-(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: Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl-, 1-(4-Bromophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one, 1-Butanone, 1-(4-bromophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)-, (.+.)-, RefChem:375974
| Molecular Formula | C24H26BrN3O |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 4.6358 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.12592 |
| Heavy Atoms | 29 |
| Complexity | 1026.2867 |
Chemical Identifiers
| CAS Number | 42021-40-9 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCCC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5N3 |
Product Overview
Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- (CAS 42021-40-9), with molecular formula C24H26BrN3O and molecular weight 451.13 g/mol. IUPAC: 1-(4-bromophenyl)-4-(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 Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl-
Property Insights of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl-
The XLogP value of 4.6358 indicates that Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.34 Ų, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- 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-(3-((p-bromophenyl)carbonyl)propyl)-, dl- has 1 hydrogen bond donor(s) and 3 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 Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl-?
The CAS number of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- is 42021-40-9.
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-(3-((p-bromophenyl)carbonyl)propyl)-, dl-?
The molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- is C24H26BrN3O.
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-(3-((p-bromophenyl)carbonyl)propyl)-, dl-?
The molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-((p-bromophenyl)carbonyl)propyl)-, dl- is 451.13 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-(3-((p-bromophenyl)carbonyl)propyl)-, dl-?
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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-(3-((p-bromophenyl)carbonyl)propyl)-, dl-?
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-(3-((p-bromophenyl)carbonyl)propyl)-, dl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.