1-Ethynyladamantane
TL;DR: 1-Ethynyladamantane (CAS 40430-66-8) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyladamantane
Also Known As: 1-Ethynyladamantane, 1-ADAMANTYLACETYLENE, Adamantane-1-ethynyl, 1-Ethynyladamantane #, (1-Adamantyl)acetylene
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 40430-66-8 |
|---|---|
| SMILES | C#CC12CC3CC(C1)CC(C3)C2 |
| InChIKey | KJNCIYYNPLWHDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethynyladamantane (CAS 40430-66-8), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: 1-ethynyladamantane.
Chemical Property Profile of 1-Ethynyladamantane
Property Insights of 1-Ethynyladamantane
The XLogP value of 3.9 indicates that 1-Ethynyladamantane 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-Ethynyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyladamantane has 0 hydrogen bond donor(s) and 0 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-Ethynyladamantane?
The CAS number of 1-Ethynyladamantane is 40430-66-8.
What is the molecular formula of 1-Ethynyladamantane?
The molecular formula of 1-Ethynyladamantane is C12H16.
What is the molecular weight of 1-Ethynyladamantane?
The molecular weight of 1-Ethynyladamantane is 160.13 g/mol.
Where can I buy 1-Ethynyladamantane?
You can request a quote for 1-Ethynyladamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyladamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyladamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.