2-(Diethoxymethyl)propane-1,3-diol
TL;DR: 2-(Diethoxymethyl)propane-1,3-diol (CAS 40364-79-2) is a chemical compound with molecular formula C8H18O4 and molecular weight 178.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxymethyl)propane-1,3-diol
Also Known As: 2-(diethoxymethyl)propane-1,3-diol, 2-Diethoxymethyl-propane-1,3-diol, 3,3-diethoxy-2-(hydroxymethyl)-1-propanol, 3-Hydroxy-2-(hydroxymethyl)propanal diethyl acetal, 3-hydroxy-2-hydroxymethyl-propionaldehyde diethyl acetal
| Molecular Formula | C8H18O4 |
|---|---|
| Molecular Weight | 178.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.12051 |
| Heavy Atoms | 12 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 40364-79-2 |
|---|---|
| SMILES | CCOC(C(CO)CO)OCC |
| InChIKey | NVCQBZCYRXZJPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Diethoxymethyl)propane-1,3-diol (CAS 40364-79-2), with molecular formula C8H18O4 and molecular weight 178.12 g/mol. IUPAC: 2-(diethoxymethyl)propane-1,3-diol.
Chemical Property Profile of 2-(Diethoxymethyl)propane-1,3-diol
Property Insights of 2-(Diethoxymethyl)propane-1,3-diol
The XLogP value of -0.3 indicates that 2-(Diethoxymethyl)propane-1,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, 2-(Diethoxymethyl)propane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethoxymethyl)propane-1,3-diol has 2 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 2-(Diethoxymethyl)propane-1,3-diol?
The CAS number of 2-(Diethoxymethyl)propane-1,3-diol is 40364-79-2.
What is the molecular formula of 2-(Diethoxymethyl)propane-1,3-diol?
The molecular formula of 2-(Diethoxymethyl)propane-1,3-diol is C8H18O4.
What is the molecular weight of 2-(Diethoxymethyl)propane-1,3-diol?
The molecular weight of 2-(Diethoxymethyl)propane-1,3-diol is 178.12 g/mol.
Where can I buy 2-(Diethoxymethyl)propane-1,3-diol?
You can request a quote for 2-(Diethoxymethyl)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethoxymethyl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethoxymethyl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.