![Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- structure](/static/products/5678/56781-93-2.webp)
Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-
TL;DR: Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- (CAS 56781-93-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-dioxo-2-adamantyl) acetate
Also Known As: 4,8-Dioxo-2-adamantyl acetate, (4,8-dioxo-2-adamantyl) acetate, 4,8-Dioxo-2-adamantyl acetate #, 4-Acetyloxy-tricyclo[3.3.1.13,7]decane-2,6-dione, Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 56781-93-2 |
|---|---|
| SMILES | CC(=O)OC1C2CC3CC(C2=O)CC1C3=O |
| InChIKey | QEMLTHATOUZNHR-UHFFFAOYSA-N |
Product Overview
Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- (CAS 56781-93-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (4,8-dioxo-2-adamantyl) acetate.
Chemical Property Profile of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-
Property Insights of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-. Following Lipinski's Rule of Five, Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- has 0 hydrogen bond donor(s) and 4 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 Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-?
The CAS number of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- is 56781-93-2.
What is the molecular formula of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-?
The molecular formula of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- is C12H14O4.
What is the molecular weight of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-?
The molecular weight of Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- is 222.09 g/mol.
Where can I buy Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-?
You can request a quote for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.