2-Methyl-4-oxo-pentane-2-sulfonic acid
TL;DR: 2-Methyl-4-oxo-pentane-2-sulfonic acid (CAS 67779-47-9) is a chemical compound with molecular formula C6H12O4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-oxopentane-2-sulfonic acid
Also Known As: 2-methyl-4-oxo-pentane-2-sulfonic acid, 2-methyl-4-oxopentane-2-sulfonic acid, 2-Methyl-4-oxo-2-pentanesulfonic acid, 2-methyl-4-oxopentane-2-sulfonic acid acid, J3.466.576A
| Molecular Formula | C6H12O4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04562 |
| Heavy Atoms | 11 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 67779-47-9 |
|---|---|
| SMILES | CC(=O)CC(C)(C)S(=O)(=O)O |
| InChIKey | CDLJPDXATJWHDX-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-oxo-pentane-2-sulfonic acid (CAS 67779-47-9), with molecular formula C6H12O4S and molecular weight 180.05 g/mol. IUPAC: 2-methyl-4-oxopentane-2-sulfonic acid.
Chemical Property Profile of 2-Methyl-4-oxo-pentane-2-sulfonic acid
Property Insights of 2-Methyl-4-oxo-pentane-2-sulfonic acid
The XLogP value of -0.6 indicates that 2-Methyl-4-oxo-pentane-2-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-oxo-pentane-2-sulfonic acid. Following Lipinski's Rule of Five, 2-Methyl-4-oxo-pentane-2-sulfonic acid has 1 hydrogen bond donor(s) and 4 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-Methyl-4-oxo-pentane-2-sulfonic acid?
The CAS number of 2-Methyl-4-oxo-pentane-2-sulfonic acid is 67779-47-9.
What is the molecular formula of 2-Methyl-4-oxo-pentane-2-sulfonic acid?
The molecular formula of 2-Methyl-4-oxo-pentane-2-sulfonic acid is C6H12O4S.
What is the molecular weight of 2-Methyl-4-oxo-pentane-2-sulfonic acid?
The molecular weight of 2-Methyl-4-oxo-pentane-2-sulfonic acid is 180.05 g/mol.
Where can I buy 2-Methyl-4-oxo-pentane-2-sulfonic acid?
You can request a quote for 2-Methyl-4-oxo-pentane-2-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-oxo-pentane-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-oxo-pentane-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.