5-(Benzoyloxy)-1,3-benzoxathiol-2-one
TL;DR: 5-(Benzoyloxy)-1,3-benzoxathiol-2-one (CAS 7735-57-1) is a chemical compound with molecular formula C14H8O4S and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-benzoxathiol-5-yl) benzoate
Also Known As: 2-Oxobenzo[d][1,3]oxathiol-5-yl benzoate, ChemDiv2_004189, (2-oxo-1,3-benzoxathiol-5-yl) benzoate, 2-oxo-2H-1,3-benzoxathiol-5-yl benzoate, 5-(Benzoyloxy)-1,3-benzoxathiol-2-one
| Molecular Formula | C14H8O4S |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.01434 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 7735-57-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC(=O)S3 |
| InChIKey | SFJPOFFPMVAJAE-UHFFFAOYSA-N |
Product Overview
5-(Benzoyloxy)-1,3-benzoxathiol-2-one (CAS 7735-57-1), with molecular formula C14H8O4S and molecular weight 272.01 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) benzoate.
Chemical Property Profile of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one
Property Insights of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one
The XLogP value of 3.7 indicates that 5-(Benzoyloxy)-1,3-benzoxathiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzoyloxy)-1,3-benzoxathiol-2-one. Following Lipinski's Rule of Five, 5-(Benzoyloxy)-1,3-benzoxathiol-2-one has 0 hydrogen bond donor(s) and 5 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-(Benzoyloxy)-1,3-benzoxathiol-2-one?
The CAS number of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one is 7735-57-1.
What is the molecular formula of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one?
The molecular formula of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one is C14H8O4S.
What is the molecular weight of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one?
The molecular weight of 5-(Benzoyloxy)-1,3-benzoxathiol-2-one is 272.01 g/mol.
Where can I buy 5-(Benzoyloxy)-1,3-benzoxathiol-2-one?
You can request a quote for 5-(Benzoyloxy)-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-(Benzoyloxy)-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzoyloxy)-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.