Ethyl 3,5-dimethyladamantane-1-carboxylate
TL;DR: Ethyl 3,5-dimethyladamantane-1-carboxylate (CAS 63263-09-2) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethyladamantane-1-carboxylate
Also Known As: ethyl 3,5-dimethyladamantane-1-carboxylate, Ethyl 3,5-dimethyl-1-adamantanecarboxylate, Ethyl 3,5-dimethyl-1-adamantanecarboxylate #, 1,3-Dimethyladamantan-5-carboxylic acid, ethyl ester, Ethyl 3,5-dimethyltricyclo[3.3.1.13,7]decane-1-carboxylate
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 63263-09-2 |
|---|---|
| SMILES | CCOC(=O)C12CC3CC(C1)(CC(C3)(C2)C)C |
| InChIKey | DCOZPYZUIKIADB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,5-dimethyladamantane-1-carboxylate (CAS 63263-09-2), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: ethyl 3,5-dimethyladamantane-1-carboxylate.
Chemical Property Profile of Ethyl 3,5-dimethyladamantane-1-carboxylate
Property Insights of Ethyl 3,5-dimethyladamantane-1-carboxylate
The XLogP value of 3.9 indicates that Ethyl 3,5-dimethyladamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,5-dimethyladamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dimethyladamantane-1-carboxylate 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 Ethyl 3,5-dimethyladamantane-1-carboxylate?
The CAS number of Ethyl 3,5-dimethyladamantane-1-carboxylate is 63263-09-2.
What is the molecular formula of Ethyl 3,5-dimethyladamantane-1-carboxylate?
The molecular formula of Ethyl 3,5-dimethyladamantane-1-carboxylate is C15H24O2.
What is the molecular weight of Ethyl 3,5-dimethyladamantane-1-carboxylate?
The molecular weight of Ethyl 3,5-dimethyladamantane-1-carboxylate is 236.18 g/mol.
Where can I buy Ethyl 3,5-dimethyladamantane-1-carboxylate?
You can request a quote for Ethyl 3,5-dimethyladamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dimethyladamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dimethyladamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.