![1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate structure](/static/products/6106/61065-63-2.webp)
1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate
TL;DR: 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate (CAS 61065-63-2) is a chemical compound with molecular formula C17H26O4 and molecular weight 294.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-acetyloxypropan-2-yl)-1-adamantyl] acetate
Also Known As: 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate, [3-(2-acetyloxypropan-2-yl)-1-adamantyl] acetate, 2-(3-Acetoxyadamantan-1-yl)propan-2-yl acetate, 2-[3-(acetyloxy)adamantan-1-yl]propan-2-yl acetate, Adamantane, 1-acetoxy-3-(1-acetoxy-1-methylethyl)-
| Molecular Formula | C17H26O4 |
|---|---|
| Molecular Weight | 294.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.1831 |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 61065-63-2 |
|---|---|
| SMILES | CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(C)(C)OC(=O)C |
| InChIKey | RLXDPLARQIAXJE-UHFFFAOYSA-N |
Product Overview
1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate (CAS 61065-63-2), with molecular formula C17H26O4 and molecular weight 294.18 g/mol. IUPAC: [3-(2-acetyloxypropan-2-yl)-1-adamantyl] acetate.
Chemical Property Profile of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate
Property Insights of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate 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 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate?
The CAS number of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate is 61065-63-2.
What is the molecular formula of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate?
The molecular formula of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate is C17H26O4.
What is the molecular weight of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate?
The molecular weight of 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate is 294.18 g/mol.
Where can I buy 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate?
You can request a quote for 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Acetyloxy)-1-adamantyl]-1-methylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.