Propanediol
TL;DR: Propanediol (CAS 68298-38-4) is a chemical compound with molecular formula CCC(O)O and molecular weight 76.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propane-1,1-diol
Also Known As: propanediol, Propandiol, propane-1,1-diol, n-propandiol, propane diol
| Molecular Formula | CCC(O)O |
|---|---|
| Molecular Weight | 76.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 76.05243 |
| Heavy Atoms | 5 |
| Complexity | 18.0 |
Chemical Identifiers
| CAS Number | 68298-38-4 |
|---|---|
| SMILES | CCC(O)O |
| InChIKey | ULWHHBHJGPPBCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanediol (CAS 68298-38-4), with molecular formula CCC(O)O and molecular weight 76.05 g/mol. IUPAC: propane-1,1-diol.
Chemical Property Profile of Propanediol
Property Insights of Propanediol
The XLogP value of -0.3 indicates that 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, Propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Propanediol?
The CAS number of Propanediol is 68298-38-4.
What is the molecular formula of Propanediol?
The molecular formula of Propanediol is CCC(O)O.
What is the molecular weight of Propanediol?
The molecular weight of Propanediol is 76.05 g/mol.
Where can I buy Propanediol?
You can request a quote for Propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanediol?
Yes, KEHONG BIO provides custom synthesis services for Propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.