Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate
TL;DR: Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate (CAS 853753-77-2) is a chemical compound with molecular formula C15H10O5S and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate
Also Known As: methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate, methyl 2-(5-hydroxy-2-oxobenzo[d]1,3-oxathiolen-7-yl)benzoate
| Molecular Formula | C15H10O5S |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 3.0137 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.0249 |
| Heavy Atoms | 21 |
| Complexity | 890.4605 |
Chemical Identifiers
| CAS Number | 853753-77-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=C3C(=CC(=C2)O)SC(=O)O3 |
Product Overview
Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate (CAS 853753-77-2), with molecular formula C15H10O5S and molecular weight 302.02 g/mol. IUPAC: methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate.
Chemical Property Profile of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate
Property Insights of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate
The XLogP value of 3.0137 indicates that Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate. Following Lipinski's Rule of Five, Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate?
The CAS number of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate is 853753-77-2.
What is the molecular formula of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate?
The molecular formula of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate is C15H10O5S.
What is the molecular weight of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate?
The molecular weight of Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate is 302.02 g/mol.
Where can I buy Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate?
You can request a quote for Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.