1,3-Diacetoxyacetone
TL;DR: 1,3-Diacetoxyacetone (CAS 105918-36-3) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-2-oxopropyl) acetate
Also Known As: 1,3-Diacetoxyacetone, 2-oxopropane-1,3-diyl diacetate, 1,3-Diacetoxyacetone ,, 1,3-Diacetoxy-2-propanone, 3-(acetyloxy)-2-oxopropyl acetate
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.05283 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 105918-36-3 |
|---|---|
| SMILES | CC(=O)OCC(=O)COC(=O)C |
| InChIKey | PZVCVSQSQHGBNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diacetoxyacetone (CAS 105918-36-3), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: (3-acetyloxy-2-oxopropyl) acetate.
Chemical Property Profile of 1,3-Diacetoxyacetone
Property Insights of 1,3-Diacetoxyacetone
The XLogP value of -0.2 indicates that 1,3-Diacetoxyacetone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diacetoxyacetone. Following Lipinski's Rule of Five, 1,3-Diacetoxyacetone has 0 hydrogen bond donor(s) and 5 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 1,3-Diacetoxyacetone?
The CAS number of 1,3-Diacetoxyacetone is 105918-36-3.
What is the molecular formula of 1,3-Diacetoxyacetone?
The molecular formula of 1,3-Diacetoxyacetone is C7H10O5.
What is the molecular weight of 1,3-Diacetoxyacetone?
The molecular weight of 1,3-Diacetoxyacetone is 174.05 g/mol.
Where can I buy 1,3-Diacetoxyacetone?
You can request a quote for 1,3-Diacetoxyacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diacetoxyacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diacetoxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.