(3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate
TL;DR: (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate (CAS 85618-26-4) is a chemical compound with molecular formula C22H36O9S and molecular weight 476.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate
Also Known As: Octyl 2,3,4,6-tetra-O-acetyl-b-D-thioglucopyranoside, Octyl Tetra-2,3,4,6-O-acetyl-b-D-thioglucopyranoside, (3,4,5-triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate, [3,5-diacetyloxy-2-(acetyloxymethyl)-6-octylsulfanyl-oxan-4-yl] Acetate, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-octylsulfanyloxan-2-yl]methyl acetate
| Molecular Formula | C22H36O9S |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | 3.1632 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 476.208 |
| Heavy Atoms | 32 |
| Complexity | 624.52277 |
Chemical Identifiers
| CAS Number | 85618-26-4 |
|---|---|
| SMILES | CCCCCCCCSC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
(3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate (CAS 85618-26-4), with molecular formula C22H36O9S and molecular weight 476.21 g/mol. IUPAC: (3,4,5-triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate.
Chemical Property Profile of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate
Property Insights of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate
The XLogP value of 3.1632 indicates that (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate. Following Lipinski's Rule of Five, (3,4,5-Triacetyloxy-6-octylsulfanyloxan-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-octylsulfanyloxan-2-yl)methyl acetate?
The CAS number of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate is 85618-26-4.
What is the molecular formula of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate?
The molecular formula of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate is C22H36O9S.
What is the molecular weight of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate?
The molecular weight of (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate is 476.21 g/mol.
Where can I buy (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate?
You can request a quote for (3,4,5-Triacetyloxy-6-octylsulfanyloxan-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-octylsulfanyloxan-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3,4,5-Triacetyloxy-6-octylsulfanyloxan-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.