1-苯乙炔基金刚烷
TL;DR: 1-苯乙炔基金刚烷 (CAS 219831-45-5) is a chemical compound with molecular formula C18H20 and molecular weight 236.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯乙炔基金刚烷
1-(2-phenylethynyl)adamantane
Also Known As: adamantylphenylacetylene, 1-Adamantyl phenylacetylene, 1-Phenylethynyladamantane, 4-Adamantylethynylbenzene, 1-(Phenylethynyl)adamantane
| Molecular Formula | C18H20 |
|---|---|
| Molecular Weight | 236.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.1565 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 219831-45-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C#CC4=CC=CC=C4 |
| InChIKey | NILZZMRDRCUCON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯乙炔基金刚烷 (CAS 219831-45-5), with molecular formula C18H20 and molecular weight 236.16 g/mol. IUPAC: 1-(2-phenylethynyl)adamantane.
Chemical Property Profile of 1-苯乙炔基金刚烷
Property Insights of 1-苯乙炔基金刚烷
The XLogP value of 5.7 indicates that 1-苯乙炔基金刚烷 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-苯乙炔基金刚烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯乙炔基金刚烷 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-苯乙炔基金刚烷?
The CAS number of 1-苯乙炔基金刚烷 is 219831-45-5.
What is the molecular formula of 1-苯乙炔基金刚烷?
The molecular formula of 1-苯乙炔基金刚烷 is C18H20.
What is the molecular weight of 1-苯乙炔基金刚烷?
The molecular weight of 1-苯乙炔基金刚烷 is 236.16 g/mol.
Where can I buy 1-苯乙炔基金刚烷?
You can request a quote for 1-苯乙炔基金刚烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯乙炔基金刚烷?
Yes, KEHONG BIO provides custom synthesis services for 1-苯乙炔基金刚烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.