2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate
TL;DR: 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate (CAS 342379-16-2) 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.
(2-oxo-1,3-benzoxathiol-5-yl) 2-methoxybenzoate
Also Known As: 2-oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate, (2-oxo-1,3-benzoxathiol-5-yl) 2-methoxybenzoate, BIM-0008581.P001, AE-848/12505016, 2-oxobenzo[d][1,3]oxathiol-5-yl 2-methoxybenzoate
| Molecular Formula | C15H10O5S |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 3.0823 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0249 |
| Heavy Atoms | 21 |
| Complexity | 861.6265 |
Chemical Identifiers
| CAS Number | 342379-16-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)OC(=O)S3 |
Product Overview
2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate (CAS 342379-16-2), with molecular formula C15H10O5S and molecular weight 302.02 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) 2-methoxybenzoate.
Chemical Property Profile of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate
Property Insights of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate
The XLogP value of 3.0823 indicates that 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate. Following Lipinski's Rule of Five, 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate has 0 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 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate?
The CAS number of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate is 342379-16-2.
What is the molecular formula of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate?
The molecular formula of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate is C15H10O5S.
What is the molecular weight of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate?
The molecular weight of 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate is 302.02 g/mol.
Where can I buy 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate?
You can request a quote for 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-benzoxathiol-5-yl 2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.