Propane-1,1-diol diacetate
TL;DR: Propane-1,1-diol diacetate (CAS 33931-80-5) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyloxypropyl acetate
Also Known As: Propylidenediacetate, propanediol diacetate, Propylidene diacetate, 1-acetyloxypropyl acetate, Propane-1,1-diol diacetate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 33931-80-5 |
|---|---|
| SMILES | CCC(OC(=O)C)OC(=O)C |
| InChIKey | TYUBFZQPOBZETC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propane-1,1-diol diacetate (CAS 33931-80-5), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 1-acetyloxypropyl acetate.
Chemical Property Profile of Propane-1,1-diol diacetate
Property Insights of Propane-1,1-diol diacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane-1,1-diol diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Propane-1,1-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane-1,1-diol diacetate 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 Propane-1,1-diol diacetate?
The CAS number of Propane-1,1-diol diacetate is 33931-80-5.
What is the molecular formula of Propane-1,1-diol diacetate?
The molecular formula of Propane-1,1-diol diacetate is C7H12O4.
What is the molecular weight of Propane-1,1-diol diacetate?
The molecular weight of Propane-1,1-diol diacetate is 160.07 g/mol.
Where can I buy Propane-1,1-diol diacetate?
You can request a quote for Propane-1,1-diol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,1-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,1-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.