![7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- structure](/static/products/213/21357-91-5.png)
7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-
TL;DR: 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- (CAS 21357-91-5) is a chemical compound with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-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: 3-Acetyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one, 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one,3-acetyl-, 3-Acetyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one #, 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-, 3-acetyl-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one
| Molecular Formula | C20H12N2O2 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.08987 |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 21357-91-5 |
|---|---|
| SMILES | CC(=O)C1=C2C=CC=C3C2=C(C=C1)C4=NC5=CC=CC=C5N4C3=O |
| InChIKey | OIFWTFCGPNANFW-UHFFFAOYSA-N |
Product Overview
7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- (CAS 21357-91-5), with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol. IUPAC: 17-acetyl-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 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-
Property Insights of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-
The XLogP value of 3.7 indicates that 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- has 0 hydrogen bond donor(s) and 3 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 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-?
The CAS number of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- is 21357-91-5.
What is the molecular formula of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-?
The molecular formula of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- is C20H12N2O2.
What is the molecular weight of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-?
The molecular weight of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- is 312.09 g/mol.
Where can I buy 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-?
You can request a quote for 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.