![8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole structure](/static/products/488/488718-01-0.png)
8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
TL;DR: 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 488718-01-0) is a chemical compound with molecular formula C21H17ClF3N5 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Also Known As: 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole, 8-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole, 8-chloro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
| Molecular Formula | C21H17ClF3N5 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 5.1099 |
| Topological Polar Surface Area | 48.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.11246 |
| Heavy Atoms | 30 |
| Complexity | 1228.4979 |
Chemical Identifiers
| CAS Number | 488718-01-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC=NC4=C3NC5=C4C=C(C=C5)Cl |
Product Overview
8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 488718-01-0), with molecular formula C21H17ClF3N5 and molecular weight 431.11 g/mol. IUPAC: 8-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
Property Insights of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
The XLogP value of 5.1099 indicates that 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)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 48.05 Ų, 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)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, 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole 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 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The CAS number of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is 488718-01-0.
What is the molecular formula of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The molecular formula of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is C21H17ClF3N5.
What is the molecular weight of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The molecular weight of 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is 431.11 g/mol.
Where can I buy 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
You can request a quote for 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)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 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.