1-Acetyl-3-hydroxyadamantane
TL;DR: 1-Acetyl-3-hydroxyadamantane (CAS 39917-38-9) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxy-1-adamantyl)ethanone
Also Known As: 1-(3-Hydroxy-1-adamantyl)ethanone, 1-acetyl-3-adamantanol, 1-(3-HYDROXYADAMANTAN-1-YL)ETHANONE, 3-Hydroxy-1-Acetyladamantane, 3-Acetyladamantan-1-ol
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 39917-38-9 |
|---|---|
| SMILES | CC(=O)C12CC3CC(C1)CC(C3)(C2)O |
| InChIKey | ISGGLYJERYAKTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-3-hydroxyadamantane (CAS 39917-38-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-(3-hydroxy-1-adamantyl)ethanone.
Chemical Property Profile of 1-Acetyl-3-hydroxyadamantane
Property Insights of 1-Acetyl-3-hydroxyadamantane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3-hydroxyadamantane. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Acetyl-3-hydroxyadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3-hydroxyadamantane has 1 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 1-Acetyl-3-hydroxyadamantane?
The CAS number of 1-Acetyl-3-hydroxyadamantane is 39917-38-9.
What is the molecular formula of 1-Acetyl-3-hydroxyadamantane?
The molecular formula of 1-Acetyl-3-hydroxyadamantane is C12H18O2.
What is the molecular weight of 1-Acetyl-3-hydroxyadamantane?
The molecular weight of 1-Acetyl-3-hydroxyadamantane is 194.13 g/mol.
Where can I buy 1-Acetyl-3-hydroxyadamantane?
You can request a quote for 1-Acetyl-3-hydroxyadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3-hydroxyadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-hydroxyadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.