Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester
TL;DR: Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester (CAS 77658-12-9) is a chemical compound with molecular formula C4H12N2O6S2 and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfamoyloxybutan-2-yl sulfamate
Also Known As: butane-2,3-diyl disulfamate, 3-sulfamoyloxybutan-2-yl sulfamate, 2,3-DISULFAMOYLOXYBUTANE, Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester, Sulfamic acid 1-methyl-2-sulfamoyloxy-propyl ester
| Molecular Formula | C4H12N2O6S2 |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.01367 |
| Heavy Atoms | 14 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 77658-12-9 |
|---|---|
| SMILES | CC(C(C)OS(=O)(=O)N)OS(=O)(=O)N |
| InChIKey | GAGXXVRMSZDTMN-UHFFFAOYSA-N |
Product Overview
Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester (CAS 77658-12-9), with molecular formula C4H12N2O6S2 and molecular weight 248.01 g/mol. IUPAC: 3-sulfamoyloxybutan-2-yl sulfamate.
Chemical Property Profile of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester
Property Insights of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester
The XLogP value of -1.4 indicates that Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester has 2 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 Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester?
The CAS number of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester is 77658-12-9.
What is the molecular formula of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester?
The molecular formula of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester is C4H12N2O6S2.
What is the molecular weight of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester?
The molecular weight of Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester is 248.01 g/mol.
Where can I buy Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester?
You can request a quote for Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Sulfamic acid, 1,2-dimethyl-1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.