![2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate structure](/static/products/3374/337496-15-8.webp)
2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate
TL;DR: 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate (CAS 337496-15-8) is a chemical compound with molecular formula C14H7BrO4S and molecular weight 349.92 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-bromobenzoate
Also Known As: 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate, (2-oxo-1,3-benzoxathiol-5-yl) 2-bromobenzoate, 2-oxo-1,3-benzoxathiol-5-yl 2-bromobenzoate, 2-Bromo-benzoic acid 2-oxo-benzo[1,3]oxathiol-5-yl ester, BAS 01316960
| Molecular Formula | C14H7BrO4S |
|---|---|
| Molecular Weight | 349.92 g/mol |
| LogP | 3.8362 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.92484 |
| Heavy Atoms | 20 |
| Complexity | 849.5012 |
Chemical Identifiers
| CAS Number | 337496-15-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)OC(=O)S3)Br |
Product Overview
2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate (CAS 337496-15-8), with molecular formula C14H7BrO4S and molecular weight 349.92 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) 2-bromobenzoate.
Chemical Property Profile of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate
Property Insights of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate
The XLogP value of 3.8362 indicates that 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate 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 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate?
The CAS number of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate is 337496-15-8.
What is the molecular formula of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate?
The molecular formula of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate is C14H7BrO4S.
What is the molecular weight of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate?
The molecular weight of 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate is 349.92 g/mol.
Where can I buy 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate?
You can request a quote for 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxobenzo[d][1,3]oxathiol-5-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.