1-Ethyl-3-methyladamantane
TL;DR: 1-Ethyl-3-methyladamantane (CAS 1687-34-9) is a chemical compound with molecular formula C13H22 and molecular weight 178.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-methyladamantane
Also Known As: 1-Ethyl-3-methyladamantane, 1-Methyl-3-ethyladamantane, 1-Ethyl-3-methyladamantane #, Tricyclo[3.3.1.13,7]decane, 1-ethyl-3-methyl-, Tricyclo[3.3.1.13,7]decane,1-ethyl-3-methyl-
| Molecular Formula | C13H22 |
|---|---|
| Molecular Weight | 178.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.17215 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 1687-34-9 |
|---|---|
| SMILES | CCC12CC3CC(C1)CC(C3)(C2)C |
| InChIKey | HUCLCMAVGXHPPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-3-methyladamantane (CAS 1687-34-9), with molecular formula C13H22 and molecular weight 178.17 g/mol. IUPAC: 1-ethyl-3-methyladamantane.
Chemical Property Profile of 1-Ethyl-3-methyladamantane
Property Insights of 1-Ethyl-3-methyladamantane
The XLogP value of 5.2 indicates that 1-Ethyl-3-methyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-3-methyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-methyladamantane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Ethyl-3-methyladamantane?
The CAS number of 1-Ethyl-3-methyladamantane is 1687-34-9.
What is the molecular formula of 1-Ethyl-3-methyladamantane?
The molecular formula of 1-Ethyl-3-methyladamantane is C13H22.
What is the molecular weight of 1-Ethyl-3-methyladamantane?
The molecular weight of 1-Ethyl-3-methyladamantane is 178.17 g/mol.
Where can I buy 1-Ethyl-3-methyladamantane?
You can request a quote for 1-Ethyl-3-methyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-methyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-methyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.