3-Chlorobenzanthrone
TL;DR: 3-Chlorobenzanthrone (CAS 6409-44-5) is a chemical compound with molecular formula C17H9ClO and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzo[b]phenalen-7-one
Also Known As: 3-Chlorobenzanthrone, 3-chlorobenzo[b]phenalen-7-one, 7H-Benz[de]anthracen-7-one, 3-chloro-, 3-Chloro-7H-benz[de]anthracen-7-one, 3-Chloro-7H-benzo(de)anthracen-7-one
| Molecular Formula | C17H9ClO |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.03418 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 6409-44-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O |
| InChIKey | QLCFFBOGHZDLGO-UHFFFAOYSA-N |
Product Overview
3-Chlorobenzanthrone (CAS 6409-44-5), with molecular formula C17H9ClO and molecular weight 264.03 g/mol. IUPAC: 3-chlorobenzo[b]phenalen-7-one.
Chemical Property Profile of 3-Chlorobenzanthrone
Property Insights of 3-Chlorobenzanthrone
The XLogP value of 4.9 indicates that 3-Chlorobenzanthrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chlorobenzanthrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzanthrone has 0 hydrogen bond donor(s) and 1 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-Chlorobenzanthrone?
The CAS number of 3-Chlorobenzanthrone is 6409-44-5.
What is the molecular formula of 3-Chlorobenzanthrone?
The molecular formula of 3-Chlorobenzanthrone is C17H9ClO.
What is the molecular weight of 3-Chlorobenzanthrone?
The molecular weight of 3-Chlorobenzanthrone is 264.03 g/mol.
Where can I buy 3-Chlorobenzanthrone?
You can request a quote for 3-Chlorobenzanthrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzanthrone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzanthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.