![5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole structure](/static/products/879/879465-80-2.png)
5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
TL;DR: 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 879465-80-2) is a chemical compound with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole
Also Known As: 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole, 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole, 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
| Molecular Formula | C22H22N6O2 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 3.66472 |
| Topological Polar Surface Area | 80.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.18042 |
| Heavy Atoms | 30 |
| Complexity | 1256.3439 |
Chemical Identifiers
| CAS Number | 879465-80-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C |
Product Overview
5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 879465-80-2), with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol. IUPAC: 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole.
Chemical Property Profile of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
Property Insights of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
The XLogP value of 3.66472 indicates that 5,8-dimethyl-4-(4-(4-nitrophenyl)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 80.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole has 0 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 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The CAS number of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is 879465-80-2.
What is the molecular formula of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The molecular formula of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is C22H22N6O2.
What is the molecular weight of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
The molecular weight of 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole is 402.18 g/mol.
Where can I buy 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
You can request a quote for 5,8-dimethyl-4-(4-(4-nitrophenyl)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 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 5,8-dimethyl-4-(4-(4-nitrophenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.