![1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine structure](/static/products/372/372185-26-7.png)
1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 372185-26-7) is a chemical compound with molecular formula C22H20F3N5O and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Also Known As: 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine, 8-methoxy-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole, 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole, 8-methoxy-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
| Molecular Formula | C22H20F3N5O |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 4.4651 |
| Topological Polar Surface Area | 57.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.162 |
| Heavy Atoms | 31 |
| Complexity | 1245.0913 |
Chemical Identifiers
| CAS Number | 372185-26-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 372185-26-7), with molecular formula C22H20F3N5O and molecular weight 427.16 g/mol. IUPAC: 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
The XLogP value of 4.4651 indicates that 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.28 Ų, 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine 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 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine is 372185-26-7.
What is the molecular formula of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine is C22H20F3N5O.
What is the molecular weight of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine is 427.16 g/mol.
Where can I buy 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-{8-methoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.