2,2-Propanediol
TL;DR: 2,2-Propanediol (CAS 558-18-9) is a chemical compound with molecular formula C3H8O2 and molecular weight 76.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propane-2,2-diol
Also Known As: Propane-2,2-diol, 2,2-Propanediol, isopropanol alcohol, 2,2-dihydroxypropane, propan-2-one hydrate
| Molecular Formula | C3H8O2 |
|---|---|
| Molecular Weight | 76.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.05243 |
| Heavy Atoms | 5 |
| Complexity | 27.0 |
Chemical Identifiers
| CAS Number | 558-18-9 |
|---|---|
| SMILES | CC(C)(O)O |
| InChIKey | CIBMHJPPKCXONB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Propanediol (CAS 558-18-9), with molecular formula C3H8O2 and molecular weight 76.05 g/mol. IUPAC: propane-2,2-diol.
Chemical Property Profile of 2,2-Propanediol
Property Insights of 2,2-Propanediol
The XLogP value of -0.4 indicates that 2,2-Propanediol 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, 2,2-Propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Propanediol 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 2,2-Propanediol?
The CAS number of 2,2-Propanediol is 558-18-9.
What is the molecular formula of 2,2-Propanediol?
The molecular formula of 2,2-Propanediol is C3H8O2.
What is the molecular weight of 2,2-Propanediol?
The molecular weight of 2,2-Propanediol is 76.05 g/mol.
Where can I buy 2,2-Propanediol?
You can request a quote for 2,2-Propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.