![8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole structure](/static/products/866/866602-98-4.png)
8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
TL;DR: 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 866602-98-4) is a chemical compound with molecular formula C22H22N6O3 and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Also Known As: 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole, 8-methoxy-4-[4-(4-nitrobenzyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole, 8-methoxy-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole
| Molecular Formula | C22H22N6O3 |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 3.3501 |
| Topological Polar Surface Area | 100.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.17532 |
| Heavy Atoms | 31 |
| Complexity | 1245.5695 |
Chemical Identifiers
| CAS Number | 866602-98-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)CC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 866602-98-4), with molecular formula C22H22N6O3 and molecular weight 418.18 g/mol. IUPAC: 8-methoxy-4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
Property Insights of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
The XLogP value of 3.3501 indicates that 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-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
Frequently Asked Questions
What is the CAS number of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The CAS number of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is 866602-98-4.
What is the molecular formula of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The molecular formula of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is C22H22N6O3.
What is the molecular weight of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The molecular weight of 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is 418.18 g/mol.
Where can I buy 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
You can request a quote for 8-methoxy-4-(4-(4-nitrobenzyl)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-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 8-methoxy-4-(4-(4-nitrobenzyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.