1,1-Ethanediol
TL;DR: 1,1-Ethanediol (CAS 4433-56-1) is a chemical compound with molecular formula C2H6O2 and molecular weight 62.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,1-diol
Also Known As: 1,1-Ethanediol, ethane-1,1-diol, Acetaldehyde hydrate, Dihydroxyethane, ethanediol
| Molecular Formula | C2H6O2 |
|---|---|
| Molecular Weight | 62.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 62.03678 |
| Heavy Atoms | 4 |
| Complexity | 11.0 |
Chemical Identifiers
| CAS Number | 4433-56-1 |
|---|---|
| SMILES | CC(O)O |
| InChIKey | AZHSSKPUVBVXLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Ethanediol (CAS 4433-56-1), with molecular formula C2H6O2 and molecular weight 62.04 g/mol. IUPAC: ethane-1,1-diol.
Chemical Property Profile of 1,1-Ethanediol
Property Insights of 1,1-Ethanediol
The XLogP value of -0.6 indicates that 1,1-Ethanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 1,1-Ethanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Ethanediol has 2 hydrogen bond donor(s) and 2 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 1,1-Ethanediol?
The CAS number of 1,1-Ethanediol is 4433-56-1.
What is the molecular formula of 1,1-Ethanediol?
The molecular formula of 1,1-Ethanediol is C2H6O2.
What is the molecular weight of 1,1-Ethanediol?
The molecular weight of 1,1-Ethanediol is 62.04 g/mol.
Where can I buy 1,1-Ethanediol?
You can request a quote for 1,1-Ethanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Ethanediol?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Ethanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.