1, Triacetate
TL;DR: 1, Triacetate (CAS 10044-78-7) is a chemical compound with molecular formula C12H16O8 and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-diacetyloxy-2,8-dioxabicyclo[3.2.1]octan-4-yl) acetate
Also Known As: 1, TRIACETATE, 2,8-Dioxabicyclo[3.2.1]octane-4,6,7-triyl triacetate, (6,7-diacetyloxy-2,8-dioxabicyclo[3.2.1]oct-4-yl) acetate, (6,7-diacetyloxy-4,8-dioxabicyclo[3.2.1]octan-2-yl) acetate, 2,8-dioxabicyclo[3.2.1]octane-4,6,7-triyl triacetate(non-preferred name)
| Molecular Formula | C12H16O8 |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.0845 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 10044-78-7 |
|---|---|
| SMILES | CC(=O)OC1COC2C(C(C1O2)OC(=O)C)OC(=O)C |
| InChIKey | NVLOPTSHMAWLPP-UHFFFAOYSA-N |
Product Overview
1, Triacetate (CAS 10044-78-7), with molecular formula C12H16O8 and molecular weight 288.08 g/mol. IUPAC: (6,7-diacetyloxy-2,8-dioxabicyclo[3.2.1]octan-4-yl) acetate.
Chemical Property Profile of 1, Triacetate
Property Insights of 1, Triacetate
The XLogP value of -0.4 indicates that 1, Triacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1, Triacetate. Following Lipinski's Rule of Five, 1, Triacetate has 0 hydrogen bond donor(s) and 8 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, Triacetate?
The CAS number of 1, Triacetate is 10044-78-7.
What is the molecular formula of 1, Triacetate?
The molecular formula of 1, Triacetate is C12H16O8.
What is the molecular weight of 1, Triacetate?
The molecular weight of 1, Triacetate is 288.08 g/mol.
Where can I buy 1, Triacetate?
You can request a quote for 1, Triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1, Triacetate?
Yes, KEHONG BIO provides custom synthesis services for 1, Triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.