3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione
TL;DR: 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione (CAS 6713-72-0) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-1,4-dioxane-2,5-dione
Also Known As: Tetramethylglycolide, 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione, tetramethyl glycolide, tetramethyl-1,4-dioxane-2,5-dione, 1,4-Dioxane-2,5-dione, 3,3,6,6-tetramethyl-
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 6713-72-0 |
|---|---|
| SMILES | CC1(C(=O)OC(C(=O)O1)(C)C)C |
| InChIKey | GZYXPXGNODDCBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione (CAS 6713-72-0), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 3,3,6,6-tetramethyl-1,4-dioxane-2,5-dione.
Chemical Property Profile of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione
Property Insights of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione has 0 hydrogen bond donor(s) and 4 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 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione?
The CAS number of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione is 6713-72-0.
What is the molecular formula of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione?
The molecular formula of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione is C8H12O4.
What is the molecular weight of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione?
The molecular weight of 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione is 172.07 g/mol.
Where can I buy 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione?
You can request a quote for 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.