![5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/1537/153799-01-0.webp)
5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 153799-01-0) is a chemical compound with molecular formula C20H11NO2S and molecular weight 329.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-phenylsulfanyl-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: DivK1c_003790, CDS1_002750, BAS 01121568, BIM-0020734.P001, 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one
Technical Specifications
| Molecular Formula | C20H11NO2S |
| Molecular Weight | 329.05106 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.05106 Da |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
| SMILES | C1=CC=C(C=C1)SC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C=C2 |
| InChIKey | VVZBJQLCFQMRLI-UHFFFAOYSA-N |
Chemical Property Profile of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 4.9 indicates that 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one is 153799-01-0.
What is the molecular formula of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one is C20H11NO2S.
What is the molecular weight of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one is 329.05106 g/mol.
Where can I buy 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, CoreyChem provides custom synthesis services for 5-(phenylthio)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.