![8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole structure](/static/products/448/448192-43-6.png)
8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
TL;DR: 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole (CAS 448192-43-6) is a chemical compound with molecular formula C22H22FN5O and molecular weight 391.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
Also Known As: 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole, (S)-8-fluoro-4-(4-(3-methoxyphenyl)-3-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole, 8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole, 8-fluoro-4-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole, 8-fluoro-4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole
| Molecular Formula | C22H22FN5O |
|---|---|
| Molecular Weight | 391.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.18085 |
| Heavy Atoms | 29 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 448192-43-6 |
|---|---|
| SMILES | CC1CN(CCN1C2=CC(=CC=C2)OC)C3=NC=NC4=C3NC5=C4C=C(C=C5)F |
| InChIKey | LKIZLUUZCMZBLW-UHFFFAOYSA-N |
Product Overview
8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole (CAS 448192-43-6), with molecular formula C22H22FN5O and molecular weight 391.18 g/mol. IUPAC: 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
Property Insights of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole
The XLogP value of 4.3 indicates that 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-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 57.3 Ų, 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-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-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 6 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 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The CAS number of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole is 448192-43-6.
What is the molecular formula of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The molecular formula of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole is C22H22FN5O.
What is the molecular weight of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The molecular weight of 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole is 391.18 g/mol.
Where can I buy 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole?
You can request a quote for 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-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-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 8-fluoro-4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.