2-(Acetyloxy)-2-adamantanecarboxylic acid
TL;DR: 2-(Acetyloxy)-2-adamantanecarboxylic acid (CAS 5375-15-5) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxyadamantane-2-carboxylic acid
Also Known As: 2-Acetoxyadamantane-2-carboxylic acid, 2-acetyloxyadamantane-2-carboxylic acid, 2-(acetyloxy)-2-adamantanecarboxylic acid, 2-(acetyloxy)adamantane-2-carboxylic acid, BIM-0014960.P001
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 5375-15-5 |
|---|---|
| SMILES | CC(=O)OC1(C2CC3CC(C2)CC1C3)C(=O)O |
| InChIKey | PRAHXSFZQWEBMW-UHFFFAOYSA-N |
Product Overview
2-(Acetyloxy)-2-adamantanecarboxylic acid (CAS 5375-15-5), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 2-acetyloxyadamantane-2-carboxylic acid.
Chemical Property Profile of 2-(Acetyloxy)-2-adamantanecarboxylic acid
Property Insights of 2-(Acetyloxy)-2-adamantanecarboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-2-adamantanecarboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)-2-adamantanecarboxylic acid. Following Lipinski's Rule of Five, 2-(Acetyloxy)-2-adamantanecarboxylic acid has 1 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 2-(Acetyloxy)-2-adamantanecarboxylic acid?
The CAS number of 2-(Acetyloxy)-2-adamantanecarboxylic acid is 5375-15-5.
What is the molecular formula of 2-(Acetyloxy)-2-adamantanecarboxylic acid?
The molecular formula of 2-(Acetyloxy)-2-adamantanecarboxylic acid is C13H18O4.
What is the molecular weight of 2-(Acetyloxy)-2-adamantanecarboxylic acid?
The molecular weight of 2-(Acetyloxy)-2-adamantanecarboxylic acid is 238.12 g/mol.
Where can I buy 2-(Acetyloxy)-2-adamantanecarboxylic acid?
You can request a quote for 2-(Acetyloxy)-2-adamantanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-2-adamantanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-2-adamantanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.