5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one
TL;DR: 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one (CAS 17630-96-5) is a chemical compound with molecular formula C19H12O3S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one
Also Known As: 5-hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one, 5-hydroxy-4,7-diphenyl-2H-1,3-benzoxathiol-2-one, 5-hydroxy-4,7-diphenylbenzo[d][1,3]oxathiol-2-one, 5-Hydroxy-4,7-diphenyl-benzo[1,3]oxathiol-2-one, 5-hydroxy-4,7-diphenylbenzo[d]1,3-oxathiolan-2-one
| Molecular Formula | C19H12O3S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 4.8941 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.05072 |
| Heavy Atoms | 23 |
| Complexity | 1030.8486 |
Chemical Identifiers
| CAS Number | 17630-96-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C3=C2OC(=O)S3)C4=CC=CC=C4)O |
Product Overview
5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one (CAS 17630-96-5), with molecular formula C19H12O3S and molecular weight 320.05 g/mol. IUPAC: 5-hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one.
Chemical Property Profile of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one
Property Insights of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one
The XLogP value of 4.8941 indicates that 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one 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 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one?
The CAS number of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one is 17630-96-5.
What is the molecular formula of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one?
The molecular formula of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one is C19H12O3S.
What is the molecular weight of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one?
The molecular weight of 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one is 320.05 g/mol.
Where can I buy 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one?
You can request a quote for 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.