1-(Phenylethynyl)naphthalene
TL;DR: 1-(Phenylethynyl)naphthalene (CAS 4044-57-9) is a chemical compound with molecular formula C18H12 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethynyl)naphthalene
Also Known As: 1-(Phenylethynyl)naphthalene, 1-(2-phenylethynyl)naphthalene, 1-Phenylethynyl-naphthalene, 2-phenylethynylnaphthalene, 1-(1-Naphthyl)-2-phenylethyne
| Molecular Formula | C18H12 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 4.2396 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.0939 |
| Heavy Atoms | 18 |
| Complexity | 722.5782 |
Chemical Identifiers
| CAS Number | 4044-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC3=CC=CC=C32 |
Product Overview
1-(Phenylethynyl)naphthalene (CAS 4044-57-9), with molecular formula C18H12 and molecular weight 228.09 g/mol. IUPAC: 1-(2-phenylethynyl)naphthalene.
Chemical Property Profile of 1-(Phenylethynyl)naphthalene
Property Insights of 1-(Phenylethynyl)naphthalene
The XLogP value of 4.2396 indicates that 1-(Phenylethynyl)naphthalene 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-(Phenylethynyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylethynyl)naphthalene 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-(Phenylethynyl)naphthalene?
The CAS number of 1-(Phenylethynyl)naphthalene is 4044-57-9.
What is the molecular formula of 1-(Phenylethynyl)naphthalene?
The molecular formula of 1-(Phenylethynyl)naphthalene is C18H12.
What is the molecular weight of 1-(Phenylethynyl)naphthalene?
The molecular weight of 1-(Phenylethynyl)naphthalene is 228.09 g/mol.
Where can I buy 1-(Phenylethynyl)naphthalene?
You can request a quote for 1-(Phenylethynyl)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylethynyl)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylethynyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.