Dimethoxane
TL;DR: Dimethoxane (CAS 828-00-2) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethyl-1,3-dioxan-4-yl) acetate
Also Known As: DIMETHOXANE, Acetomethoxane, Ddoa, Acetomethoxan, GIV Gard DXN
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Melting Point | less than -25.0 °C |
| Boiling Point | 186.1 °C at 760 mmHg |
| Density | 1.0655 at 20.0 °C |
| Solubility | Miscible (NTP, 1992) |
| Flash Point | 61.1 °C |
| Vapor Pressure | 0.14 [mmHg] |
| Refractive Index | 1.430 @ 20 °C |
Chemical Identifiers
| CAS Number | 828-00-2 |
|---|---|
| SMILES | CC1CC(OC(O1)C)OC(=O)C |
| InChIKey | PHMNXPYGVPEQSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethoxane (CAS 828-00-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: (2,6-dimethyl-1,3-dioxan-4-yl) acetate.
Chemical Property Profile of Dimethoxane
Property Insights of Dimethoxane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethoxane. With a topological polar surface area (TPSA) of 44.8 Ų, Dimethoxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethoxane 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 Dimethoxane?
The CAS number of Dimethoxane is 828-00-2.
What is the molecular formula of Dimethoxane?
The molecular formula of Dimethoxane is C8H14O4.
What is the molecular weight of Dimethoxane?
The molecular weight of Dimethoxane is 174.09 g/mol.
Where can I buy Dimethoxane?
You can request a quote for Dimethoxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethoxane?
Yes, KEHONG BIO provides custom synthesis services for Dimethoxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.