8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide
TL;DR: 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide (CAS 96156-26-2) is a chemical compound with molecular formula C15H10O4S and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-1,1-dioxo-2-phenylthiochromen-4-one
Also Known As: Displurigen, Displurigen, >=98% (HPLC), 8-hydroxy-1,1-dioxo-2-phenylthiochromen-4-one, 8-hydroxy-2-phenyl-4H-thiochromen-4-one 1,1-dioxide, 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide
| Molecular Formula | C15H10O4S |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.02997 |
| Heavy Atoms | 20 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 96156-26-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(S2(=O)=O)C(=CC=C3)O |
| InChIKey | BOHKBSYMCUBXPE-UHFFFAOYSA-N |
Product Overview
8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide (CAS 96156-26-2), with molecular formula C15H10O4S and molecular weight 286.03 g/mol. IUPAC: 8-hydroxy-1,1-dioxo-2-phenylthiochromen-4-one.
Chemical Property Profile of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide
Property Insights of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide. Following Lipinski's Rule of Five, 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide has 1 hydrogen bond donor(s) and 4 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 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide?
The CAS number of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide is 96156-26-2.
What is the molecular formula of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide?
The molecular formula of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide is C15H10O4S.
What is the molecular weight of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide?
The molecular weight of 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide is 286.03 g/mol.
Where can I buy 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide?
You can request a quote for 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.