Benzyl 2-(2-methyl-2-adamantyl)acetate
TL;DR: Benzyl 2-(2-methyl-2-adamantyl)acetate (CAS 400086-32-0) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(2-methyl-2-adamantyl)acetate
Also Known As: benzyl 2-(2-methyl-2-adamantyl)acetate, benzyl 2-(2-methyladamantan-2-yl)acetate, 7E-938
| Molecular Formula | C20H26O2 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 4.5823 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.19327 |
| Heavy Atoms | 22 |
| Complexity | 520.0855 |
Chemical Identifiers
| CAS Number | 400086-32-0 |
|---|---|
| SMILES | CC1(C2CC3CC(C2)CC1C3)CC(=O)OCC4=CC=CC=C4 |
Product Overview
Benzyl 2-(2-methyl-2-adamantyl)acetate (CAS 400086-32-0), with molecular formula C20H26O2 and molecular weight 298.19 g/mol. IUPAC: benzyl 2-(2-methyl-2-adamantyl)acetate.
Chemical Property Profile of Benzyl 2-(2-methyl-2-adamantyl)acetate
Property Insights of Benzyl 2-(2-methyl-2-adamantyl)acetate
The XLogP value of 4.5823 indicates that Benzyl 2-(2-methyl-2-adamantyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2-(2-methyl-2-adamantyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-(2-methyl-2-adamantyl)acetate has 0 hydrogen bond donor(s) and 2 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 Benzyl 2-(2-methyl-2-adamantyl)acetate?
The CAS number of Benzyl 2-(2-methyl-2-adamantyl)acetate is 400086-32-0.
What is the molecular formula of Benzyl 2-(2-methyl-2-adamantyl)acetate?
The molecular formula of Benzyl 2-(2-methyl-2-adamantyl)acetate is C20H26O2.
What is the molecular weight of Benzyl 2-(2-methyl-2-adamantyl)acetate?
The molecular weight of Benzyl 2-(2-methyl-2-adamantyl)acetate is 298.19 g/mol.
Where can I buy Benzyl 2-(2-methyl-2-adamantyl)acetate?
You can request a quote for Benzyl 2-(2-methyl-2-adamantyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-(2-methyl-2-adamantyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(2-methyl-2-adamantyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.