1,3-Dihydroxyacetone dibenzoate
TL;DR: 1,3-Dihydroxyacetone dibenzoate (CAS 38982-27-3) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-2-oxopropyl) benzoate
Also Known As: 1,3-DIHYDROXYACETONE DIBENZOATE, 2-Oxopropane-1,3-diyl dibenzoate, (3-benzoyloxy-2-oxopropyl) benzoate, (3-benzoyloxy-2-oxo-propyl) Benzoate, A1-41787
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.2695 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 591.7642 |
Chemical Identifiers
| CAS Number | 38982-27-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)COC(=O)C2=CC=CC=C2 |
Product Overview
1,3-Dihydroxyacetone dibenzoate (CAS 38982-27-3), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: (3-benzoyloxy-2-oxopropyl) benzoate.
Chemical Property Profile of 1,3-Dihydroxyacetone dibenzoate
Property Insights of 1,3-Dihydroxyacetone dibenzoate
The XLogP value of 2.2695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydroxyacetone dibenzoate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydroxyacetone dibenzoate. Following Lipinski's Rule of Five, 1,3-Dihydroxyacetone dibenzoate 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-Dihydroxyacetone dibenzoate?
The CAS number of 1,3-Dihydroxyacetone dibenzoate is 38982-27-3.
What is the molecular formula of 1,3-Dihydroxyacetone dibenzoate?
The molecular formula of 1,3-Dihydroxyacetone dibenzoate is C17H14O5.
What is the molecular weight of 1,3-Dihydroxyacetone dibenzoate?
The molecular weight of 1,3-Dihydroxyacetone dibenzoate is 298.08 g/mol.
Where can I buy 1,3-Dihydroxyacetone dibenzoate?
You can request a quote for 1,3-Dihydroxyacetone dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydroxyacetone dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydroxyacetone dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.