(3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate
TL;DR: (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate (CAS 13639-55-9) is a chemical compound with molecular formula C18H28O9S and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate
Also Known As: (3,4,5-triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate, tert-Butyl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
| Molecular Formula | C18H28O9S |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 420.14542 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 13639-55-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)SC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | GPOWSWIZSCANEB-UHFFFAOYSA-N |
Product Overview
(3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate (CAS 13639-55-9), with molecular formula C18H28O9S and molecular weight 420.15 g/mol. IUPAC: (3,4,5-triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate.
Chemical Property Profile of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate
Property Insights of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate. The TPSA of 140.0 Ų indicates high polarity, suggesting (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate 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 (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate?
The CAS number of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate is 13639-55-9.
What is the molecular formula of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate?
The molecular formula of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate is C18H28O9S.
What is the molecular weight of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate?
The molecular weight of (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate is 420.15 g/mol.
Where can I buy (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate?
You can request a quote for (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3,4,5-Triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.