Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-
TL;DR: Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- (CAS 72593-38-5) is a chemical compound with molecular formula C29H31FN4 and molecular weight 454.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)-phenylmethyl]-2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethanamine
Also Known As: Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-, N-[(4-Fluorophenyl)(phenyl)methyl]-2-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)ethan-1-amine, BRN 4599381, RefChem:375996
| Molecular Formula | C29H31FN4 |
|---|---|
| Molecular Weight | 454.25 g/mol |
| LogP | 4.7285 |
| Topological Polar Surface Area | 34.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.25327 |
| Heavy Atoms | 34 |
| Complexity | 1250.372 |
Chemical Identifiers
| CAS Number | 72593-38-5 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCNC(C4=CC=CC=C4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3 |
Product Overview
Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- (CAS 72593-38-5), with molecular formula C29H31FN4 and molecular weight 454.25 g/mol. IUPAC: N-[(4-fluorophenyl)-phenylmethyl]-2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethanamine.
Chemical Property Profile of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-
Property Insights of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-
The XLogP value of 4.7285 indicates that Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.3 Ų, Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- 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)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- has 2 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-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-?
The CAS number of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- is 72593-38-5.
What is the molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-?
The molecular formula of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- is C29H31FN4.
What is the molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-?
The molecular weight of Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- is 454.25 g/mol.
Where can I buy Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-?
You can request a quote for Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- 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)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.