Chlorobenzone
TL;DR: Chlorobenzone (CAS 81-45-8) is a chemical compound with molecular formula C21H12ClNO3 and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
Also Known As: Chlorobenzone, 1-Benzamido-4-chloroanthraquinone, 1Ba-4-Xa, 1BA-4-XA [Russian], 1-Chloro-4-benzoylaminoanthraquinone
| Molecular Formula | C21H12ClNO3 |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.05057 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 81-45-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | FNCVZYRPXOZNSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorobenzone (CAS 81-45-8), with molecular formula C21H12ClNO3 and molecular weight 361.05 g/mol. IUPAC: N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide.
Chemical Property Profile of Chlorobenzone
Property Insights of Chlorobenzone
The XLogP value of 4.9 indicates that Chlorobenzone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorobenzone. Following Lipinski's Rule of Five, Chlorobenzone has 1 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 Chlorobenzone?
The CAS number of Chlorobenzone is 81-45-8.
What is the molecular formula of Chlorobenzone?
The molecular formula of Chlorobenzone is C21H12ClNO3.
What is the molecular weight of Chlorobenzone?
The molecular weight of Chlorobenzone is 361.05 g/mol.
Where can I buy Chlorobenzone?
You can request a quote for Chlorobenzone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorobenzone?
Yes, KEHONG BIO provides custom synthesis services for Chlorobenzone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.