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3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
TL;DR: 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one (CAS 27205-33-0) is a chemical compound with molecular formula C18H9ClN2O and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-chloro-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: BAS 00082692, 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-chloro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one, 3-Chloro-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one, 17-chloro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
| Molecular Formula | C18H9ClN2O |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 4.2453 |
| Topological Polar Surface Area | 34.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.04034 |
| Heavy Atoms | 22 |
| Complexity | 1256.5269 |
Chemical Identifiers
| CAS Number | 27205-33-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)Cl |
Product Overview
3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one (CAS 27205-33-0), with molecular formula C18H9ClN2O and molecular weight 304.04 g/mol. IUPAC: 17-chloro-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 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
Property Insights of 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
The XLogP value of 4.2453 indicates that 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.37 Ų, 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one has 0 hydrogen bond donor(s) and 2 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 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one?
The CAS number of 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is 27205-33-0.
What is the molecular formula of 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one?
The molecular formula of 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is C18H9ClN2O.
What is the molecular weight of 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one?
The molecular weight of 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is 304.04 g/mol.
Where can I buy 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one?
You can request a quote for 3-Chloro-7H-benzimidazo[2,1-a]benz[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 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.