3-O-(methylthiomethyl)apiitol tetraacetate
TL;DR: 3-O-(methylthiomethyl)apiitol tetraacetate (CAS 128536-85-6) is a chemical compound with molecular formula C15H24O9S and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-diacetyloxy-3-(acetyloxymethyl)-3-(methylsulfanylmethoxy)butyl] acetate
Also Known As: MTAT, 3-O-(Methylthiomethyl)apiitol tetraacetate, 3-O-((Methylthio)methyl)-D-apiitol tetraacetate, D-Apiitol, 3-O-((methylthio)methyl)-, tetraacetate, [2,4-diacetyloxy-3-(acetyloxymethyl)-3-(methylsulfanylmethoxy)butyl] acetate
| Molecular Formula | C15H24O9S |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 0.6833 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.1141 |
| Heavy Atoms | 25 |
| Complexity | 459.6225 |
Chemical Identifiers
| CAS Number | 128536-85-6 |
|---|---|
| SMILES | CC(=O)OCC(C(COC(=O)C)(COC(=O)C)OCSC)OC(=O)C |
Product Overview
3-O-(methylthiomethyl)apiitol tetraacetate (CAS 128536-85-6), with molecular formula C15H24O9S and molecular weight 380.11 g/mol. IUPAC: [2,4-diacetyloxy-3-(acetyloxymethyl)-3-(methylsulfanylmethoxy)butyl] acetate.
Chemical Property Profile of 3-O-(methylthiomethyl)apiitol tetraacetate
Property Insights of 3-O-(methylthiomethyl)apiitol tetraacetate
The XLogP value of 0.6833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-(methylthiomethyl)apiitol tetraacetate. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-(methylthiomethyl)apiitol tetraacetate. Following Lipinski's Rule of Five, 3-O-(methylthiomethyl)apiitol tetraacetate has 0 hydrogen bond donor(s) and 10 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 3-O-(methylthiomethyl)apiitol tetraacetate?
The CAS number of 3-O-(methylthiomethyl)apiitol tetraacetate is 128536-85-6.
What is the molecular formula of 3-O-(methylthiomethyl)apiitol tetraacetate?
The molecular formula of 3-O-(methylthiomethyl)apiitol tetraacetate is C15H24O9S.
What is the molecular weight of 3-O-(methylthiomethyl)apiitol tetraacetate?
The molecular weight of 3-O-(methylthiomethyl)apiitol tetraacetate is 380.11 g/mol.
Where can I buy 3-O-(methylthiomethyl)apiitol tetraacetate?
You can request a quote for 3-O-(methylthiomethyl)apiitol tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-(methylthiomethyl)apiitol tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-O-(methylthiomethyl)apiitol tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.