2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate
TL;DR: 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate (CAS 405278-41-3) is a chemical compound with molecular formula C9H9NO5S2 and molecular weight 274.99 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) N,N-dimethylsulfamate
Also Known As: 2-oxo-1,3-benzoxathiol-5-yl dimethylsulfamate, (2-oxo-1,3-benzoxathiol-5-yl) N,N-dimethylsulfamate, 2-oxobenzo[d][1,3]oxathiol-5-yl dimethylsulfamate, A2497/0106200, 2-OXO-2H-1,3-BENZOXATHIOL-5-YL N,N-DIMETHYLSULFAMATE
| Molecular Formula | C9H9NO5S2 |
|---|---|
| Molecular Weight | 274.99 g/mol |
| LogP | 1.0397 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.99222 |
| Heavy Atoms | 17 |
| Complexity | 697.4897 |
Chemical Identifiers
| CAS Number | 405278-41-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=CC2=C(C=C1)OC(=O)S2 |
Product Overview
2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate (CAS 405278-41-3), with molecular formula C9H9NO5S2 and molecular weight 274.99 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) N,N-dimethylsulfamate.
Chemical Property Profile of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate
Property Insights of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate
The XLogP value of 1.0397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate. Following Lipinski's Rule of Five, 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate 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 dimethylsulfamate?
The CAS number of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate is 405278-41-3.
What is the molecular formula of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate?
The molecular formula of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate is C9H9NO5S2.
What is the molecular weight of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate?
The molecular weight of 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate is 274.99 g/mol.
Where can I buy 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate?
You can request a quote for 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate 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 dimethylsulfamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-benzoxathiol-5-yl dimethylsulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.