2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate
TL;DR: 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate (CAS 328070-80-0) is a chemical compound with molecular formula C13H7NO7S2 and molecular weight 352.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate
Also Known As: 2-oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate, (2-oxo-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate, 2-oxobenzo(d)(1,3)oxathiol-6-yl 4-nitrobenzenesulfonate, 2-oxobenzo[d][1,3]oxathiol-6-yl 4-nitrobenzenesulfonate
| Molecular Formula | C13H7NO7S2 |
|---|---|
| Molecular Weight | 352.97 g/mol |
| LogP | 2.5304 |
| Topological Polar Surface Area | 116.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.9664 |
| Heavy Atoms | 23 |
| Complexity | 1047.8666 |
Chemical Identifiers
| CAS Number | 328070-80-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)SC(=O)O3 |
Product Overview
2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate (CAS 328070-80-0), with molecular formula C13H7NO7S2 and molecular weight 352.97 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate.
Chemical Property Profile of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate
Property Insights of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate
The XLogP value of 2.5304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate. The TPSA of 116.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 8 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-6-yl 4-nitrobenzenesulfonate?
The CAS number of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate is 328070-80-0.
What is the molecular formula of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate?
The molecular formula of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate is C13H7NO7S2.
What is the molecular weight of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate?
The molecular weight of 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate is 352.97 g/mol.
Where can I buy 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate?
You can request a quote for 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate 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-6-yl 4-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-benzoxathiol-6-yl 4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.