1,2,3-Propanetriol, 1,3-diacetate
TL;DR: 1,2,3-Propanetriol, 1,3-diacetate (CAS 105-70-4) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-2-hydroxypropyl) acetate
Also Known As: 1,3-Diacetin, Diacetin, 2-Hydroxypropane-1,3-diyl diacetate, Glyceryl 1,3-diacetate, Glycerol diacetate
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 105-70-4 |
|---|---|
| SMILES | CC(=O)OCC(COC(=O)C)O |
| InChIKey | MPPODKLDCLFLKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Propanetriol, 1,3-diacetate (CAS 105-70-4), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: (3-acetyloxy-2-hydroxypropyl) acetate.
Chemical Property Profile of 1,2,3-Propanetriol, 1,3-diacetate
Property Insights of 1,2,3-Propanetriol, 1,3-diacetate
The XLogP value of -0.6 indicates that 1,2,3-Propanetriol, 1,3-diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetriol, 1,3-diacetate. Following Lipinski's Rule of Five, 1,2,3-Propanetriol, 1,3-diacetate has 1 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 1,2,3-Propanetriol, 1,3-diacetate?
The CAS number of 1,2,3-Propanetriol, 1,3-diacetate is 105-70-4.
What is the molecular formula of 1,2,3-Propanetriol, 1,3-diacetate?
The molecular formula of 1,2,3-Propanetriol, 1,3-diacetate is C7H12O5.
What is the molecular weight of 1,2,3-Propanetriol, 1,3-diacetate?
The molecular weight of 1,2,3-Propanetriol, 1,3-diacetate is 176.07 g/mol.
Where can I buy 1,2,3-Propanetriol, 1,3-diacetate?
You can request a quote for 1,2,3-Propanetriol, 1,3-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetriol, 1,3-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetriol, 1,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.