7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
TL;DR: 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one (CAS 307514-06-3) is a chemical compound with molecular formula C13H7ClO3S and molecular weight 277.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one
Also Known As: 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one, 7-(3-chlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one, BAS 00873181, 7-(3-Chloro-phenyl)-5-hydroxy-benzo[1,3]oxathiol-2-one, BIM-0036799.P001
| Molecular Formula | C13H7ClO3S |
|---|---|
| Molecular Weight | 277.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.98044 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 307514-06-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=C3C(=CC(=C2)O)SC(=O)O3 |
| InChIKey | VPTFYMNILPYFRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one (CAS 307514-06-3), with molecular formula C13H7ClO3S and molecular weight 277.98 g/mol. IUPAC: 7-(3-chlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Property Insights of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
The XLogP value of 4.2 indicates that 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one. Following Lipinski's Rule of Five, 7-(3-chlorophenyl)-5-hydroxy-2H-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 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one?
The CAS number of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one is 307514-06-3.
What is the molecular formula of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one?
The molecular formula of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one is C13H7ClO3S.
What is the molecular weight of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one?
The molecular weight of 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one is 277.98 g/mol.
Where can I buy 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one?
You can request a quote for 7-(3-chlorophenyl)-5-hydroxy-2H-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 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.