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2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane structure
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2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane

TL;DR: 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane (CAS 1397195-39-9) is a chemical compound with molecular formula C9H16O5 and molecular weight 204.09978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane

Also Known As: Trimethyllevoglucosan, 2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane, 1,6-Anhydro-.beta.-D-glucose, permethyl-, .beta.-D-Glucopyranose, 1,6-anhydro-2,3,4-tri-O-methyl-, 2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane (non-preferred name)

CAS Number
1397195-39-9
Molecular Formula
C9H16O5
Molecular Weight
204.09978 g/mol
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Technical Specifications

Molecular FormulaC9H16O5
Molecular Weight204.09978 g/mol
XLogP-0.5
Topological Polar Surface Area (TPSA)46.2 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds3
Exact Mass204.09978 Da
Heavy Atoms14
Complexity198.0
SMILESCOC1C2COC(O2)C(C1OC)OC
InChIKeyZZSLTIGBKYUBSG-UHFFFAOYSA-N

Chemical Property Profile of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane

XLogP
-0.5
TPSA (Topological Polar Surface Area)
46.2
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
14
Complexity
198.0
Exact Mass
204.09978
Monoisotopic Mass
204.09978
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane

The XLogP value of -0.5 indicates that 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane?

The CAS number of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane is 1397195-39-9.

What is the molecular formula of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane?

The molecular formula of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane is C9H16O5.

What is the molecular weight of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane?

The molecular weight of 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane is 204.09978 g/mol.

Where can I buy 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane?

You can request a quote for 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane?

Yes, CoreyChem provides custom synthesis services for 2,3,4-Trimethoxy-6,8-dioxabicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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