3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one
TL;DR: 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one (CAS 33673-38-0) is a chemical compound with molecular formula C22H13ClO2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one
Also Known As: 3-chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one, 3-Chloro-10-hydroxy-10-(phenylethynyl)anthracen-9(10H)-one
| Molecular Formula | C22H13ClO2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0604 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 33673-38-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)C4=C2C=C(C=C4)Cl)O |
| InChIKey | DFEKNYATTKOYPT-UHFFFAOYSA-N |
Product Overview
3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one (CAS 33673-38-0), with molecular formula C22H13ClO2 and molecular weight 344.06 g/mol. IUPAC: 3-chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one.
Chemical Property Profile of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one
Property Insights of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one
The XLogP value of 4.7 indicates that 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one has 1 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-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one?
The CAS number of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one is 33673-38-0.
What is the molecular formula of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one?
The molecular formula of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one is C22H13ClO2.
What is the molecular weight of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one?
The molecular weight of 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one is 344.06 g/mol.
Where can I buy 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one?
You can request a quote for 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-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-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-10-hydroxy-10-(2-phenylethynyl)anthracen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.