Diacetyl trimer
TL;DR: Diacetyl trimer (CAS 21263-05-8) is a chemical compound with molecular formula C12H18O6 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[2,3-d][1,3]dioxol-5-yl)ethanone
Also Known As: Diacetyl trimer, 2,3-Butanedione trimer, 1,2-Dimethyltryptamine, FEMA NO. 4303, Z-LEU-LEU-4,5-DEHYDRO-LEU-CHO
| Molecular Formula | C12H18O6 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.11035 |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
| Melting Point | 90.00 to 91.00 °C. @ 760.00 mm Hg |
| Boiling Point | 370.00 to 371.00 °C. @ 760.00 mm Hg |
| Solubility | Sparingly soluble in water |
Chemical Identifiers
| CAS Number | 21263-05-8 |
|---|---|
| SMILES | CC(=O)C1(CC2(C(O1)(OC(O2)(C)C(=O)C)C)O)C |
| InChIKey | TXTNKDRGVWKECN-UHFFFAOYSA-N |
Product Overview
Diacetyl trimer (CAS 21263-05-8), with molecular formula C12H18O6 and molecular weight 258.11 g/mol. IUPAC: 1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[2,3-d][1,3]dioxol-5-yl)ethanone.
Chemical Property Profile of Diacetyl trimer
Property Insights of Diacetyl trimer
The XLogP value of -0.6 indicates that Diacetyl trimer is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetyl trimer. Following Lipinski's Rule of Five, Diacetyl trimer has 1 hydrogen bond donor(s) and 6 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 Diacetyl trimer?
The CAS number of Diacetyl trimer is 21263-05-8.
What is the molecular formula of Diacetyl trimer?
The molecular formula of Diacetyl trimer is C12H18O6.
What is the molecular weight of Diacetyl trimer?
The molecular weight of Diacetyl trimer is 258.11 g/mol.
Where can I buy Diacetyl trimer?
You can request a quote for Diacetyl trimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetyl trimer?
Yes, KEHONG BIO provides custom synthesis services for Diacetyl trimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.