![2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one structure](/static/products/2398/23986-31-4.webp)
2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
TL;DR: 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one (CAS 23986-31-4) is a chemical compound with molecular formula C18H8N4O5 and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14,18-dinitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
Also Known As: ChemDiv1_019023, 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one, BAS 00399075, J3.499.399H, 14,18-dinitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
| Molecular Formula | C18H8N4O5 |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 3.4083 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.04947 |
| Heavy Atoms | 27 |
| Complexity | 1499.8783 |
Chemical Identifiers
| CAS Number | 23986-31-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC(=CC5=CC(=CC3=C54)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one (CAS 23986-31-4), with molecular formula C18H8N4O5 and molecular weight 360.05 g/mol. IUPAC: 14,18-dinitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.
Chemical Property Profile of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
Property Insights of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
The XLogP value of 3.4083 indicates that 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one. Following Lipinski's Rule of Five, 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one 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 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one?
The CAS number of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one is 23986-31-4.
What is the molecular formula of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one?
The molecular formula of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one is C18H8N4O5.
What is the molecular weight of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one?
The molecular weight of 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one is 360.05 g/mol.
Where can I buy 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one?
You can request a quote for 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dinitro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.