![7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole structure](/static/products/587/587002-91-3.png)
7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
TL;DR: 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole (CAS 587002-91-3) is a chemical compound with molecular formula C23H22F3N5O and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Also Known As: 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole, 7-methoxy-4-(4-(3-(trifluoromethyl)benzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole, 7-methoxy-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole
| Molecular Formula | C23H22F3N5O |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 4.4607 |
| Topological Polar Surface Area | 57.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.17764 |
| Heavy Atoms | 32 |
| Complexity | 1261.6953 |
Chemical Identifiers
| CAS Number | 587002-91-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC5=CC(=CC=C5)C(F)(F)F |
Product Overview
7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole (CAS 587002-91-3), with molecular formula C23H22F3N5O and molecular weight 441.18 g/mol. IUPAC: 7-methoxy-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
Property Insights of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
The XLogP value of 4.4607 indicates that 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.28 Ų, 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 5 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 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole?
The CAS number of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole is 587002-91-3.
What is the molecular formula of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole?
The molecular formula of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole is C23H22F3N5O.
What is the molecular weight of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole?
The molecular weight of 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole is 441.18 g/mol.
Where can I buy 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole?
You can request a quote for 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.