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4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole structure
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4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

TL;DR: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole (CAS 155088-77-0) is a chemical compound with molecular formula C22H22FN5O2 and molecular weight 407.17575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

Also Known As: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole, 4-[4-[4-Fluorophenyl]piperazino]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole, 1-{7,8-DIMETHOXY-5H-PYRIMIDO[5,4-B]INDOL-4-YL}-4-(4-FLUOROPHENYL)PIPERAZINE, 4-(4-(4-fluorophenyl)piperazin-1-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

CAS Number
155088-77-0
Molecular Formula
C22H22FN5O2
Molecular Weight
407.17575 g/mol
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Technical Specifications

Molecular FormulaC22H22FN5O2
Molecular Weight407.17575 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)66.5 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds4
Exact Mass407.17575 Da
Heavy Atoms30
Complexity570.0
SMILESCOC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)OC
InChIKeyCUGMNGKSNIQURW-UHFFFAOYSA-N

Chemical Property Profile of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

XLogP
3.8
TPSA (Topological Polar Surface Area)
66.5
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
4
Heavy Atoms
30
Complexity
570.0
Exact Mass
407.17575
Monoisotopic Mass
407.17575
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

The XLogP value of 3.8 indicates that 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole?

The CAS number of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is 155088-77-0.

What is the molecular formula of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole?

The molecular formula of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is C22H22FN5O2.

What is the molecular weight of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole?

The molecular weight of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is 407.17575 g/mol.

Where can I buy 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole?

You can request a quote for 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole?

Yes, CoreyChem provides custom synthesis services for 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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