(s)-1,2,4-Butanetriol trimesylate
TL;DR: (s)-1,2,4-Butanetriol trimesylate (CAS 99520-81-7) is a chemical compound with molecular formula C7H16O9S3 and molecular weight 340.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3,4-bis(methylsulfonyloxy)butyl] methanesulfonate
Also Known As: (s)-1,2,4-butanetriol trimesylate, (S)-Butane-1,2,4-triyl trimethanesulfonate, (2S)-1,2,4-tris(methylsulfonyloxy)butane, [(3S)-3,4-bis(methylsulfonyloxy)butyl] methanesulfonate, (2S)-2-[(Methanesulfonyl)oxy]butane-1,4-diyl dimethanesulfonate
| Molecular Formula | C7H16O9S3 |
|---|---|
| Molecular Weight | 340.00 g/mol |
| LogP | -1.3263 |
| Topological Polar Surface Area | 130.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.99564 |
| Heavy Atoms | 19 |
| Complexity | 571.3028 |
Chemical Identifiers
| CAS Number | 99520-81-7 |
|---|---|
| SMILES | CS(=O)(=O)OCC[C@@H](COS(=O)(=O)C)OS(=O)(=O)C |
Product Overview
(s)-1,2,4-Butanetriol trimesylate (CAS 99520-81-7), with molecular formula C7H16O9S3 and molecular weight 340.00 g/mol. IUPAC: [(3S)-3,4-bis(methylsulfonyloxy)butyl] methanesulfonate.
Chemical Property Profile of (s)-1,2,4-Butanetriol trimesylate
Property Insights of (s)-1,2,4-Butanetriol trimesylate
The XLogP value of -1.3263 indicates that (s)-1,2,4-Butanetriol trimesylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (s)-1,2,4-Butanetriol trimesylate. Following Lipinski's Rule of Five, (s)-1,2,4-Butanetriol trimesylate has 0 hydrogen bond donor(s) and 9 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 (s)-1,2,4-Butanetriol trimesylate?
The CAS number of (s)-1,2,4-Butanetriol trimesylate is 99520-81-7.
What is the molecular formula of (s)-1,2,4-Butanetriol trimesylate?
The molecular formula of (s)-1,2,4-Butanetriol trimesylate is C7H16O9S3.
What is the molecular weight of (s)-1,2,4-Butanetriol trimesylate?
The molecular weight of (s)-1,2,4-Butanetriol trimesylate is 340.00 g/mol.
Where can I buy (s)-1,2,4-Butanetriol trimesylate?
You can request a quote for (s)-1,2,4-Butanetriol trimesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (s)-1,2,4-Butanetriol trimesylate?
Yes, KEHONG BIO provides custom synthesis services for (s)-1,2,4-Butanetriol trimesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.