5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one
TL;DR: 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one (CAS 301681-86-7) is a chemical compound with molecular formula C14H10O4S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one
Also Known As: 5-hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one, 5-hydroxy-7-(4-methoxyphenyl)-2H-1,3-benzoxathiol-2-one, AE-641/12361147, 5-hydroxy-7-(4-methoxy-phenyl)-1,3-benzoxathiol-2-one, 5-hydroxy-7-(4-methoxyphenyl)benzo[d]1,3-oxathiolan-2-one
| Molecular Formula | C14H10O4S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.02997 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 301681-86-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C3C(=CC(=C2)O)SC(=O)O3 |
| InChIKey | YDMCWSFCZQIDSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one (CAS 301681-86-7), with molecular formula C14H10O4S and molecular weight 274.03 g/mol. IUPAC: 5-hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one.
Chemical Property Profile of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one
Property Insights of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one
The XLogP value of 3.5 indicates that 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one. Following Lipinski's Rule of Five, 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one has 1 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-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one?
The CAS number of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one is 301681-86-7.
What is the molecular formula of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one?
The molecular formula of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one is C14H10O4S.
What is the molecular weight of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one?
The molecular weight of 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one is 274.03 g/mol.
Where can I buy 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one?
You can request a quote for 5-Hydroxy-7-(4-methoxyphenyl)-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-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-7-(4-methoxyphenyl)-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.