1-Phenyl-1-octyne
TL;DR: 1-Phenyl-1-octyne (CAS 16967-02-5) is a chemical compound with molecular formula C14H18 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-1-ynylbenzene
Also Known As: 1-Phenyl-1-octyne, 1-Octynylbenzene, oct-1-ynylbenzene, Benzene, 3-octynyl-, (oct-1-yn-1-yl)benzene
| Molecular Formula | C14H18 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.14085 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 16967-02-5 |
|---|---|
| SMILES | CCCCCCC#CC1=CC=CC=C1 |
| InChIKey | YVCYLGYUDUYFQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1-octyne (CAS 16967-02-5), with molecular formula C14H18 and molecular weight 186.14 g/mol. IUPAC: oct-1-ynylbenzene.
Chemical Property Profile of 1-Phenyl-1-octyne
Property Insights of 1-Phenyl-1-octyne
The XLogP value of 5.3 indicates that 1-Phenyl-1-octyne 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-Phenyl-1-octyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1-octyne 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-Phenyl-1-octyne?
The CAS number of 1-Phenyl-1-octyne is 16967-02-5.
What is the molecular formula of 1-Phenyl-1-octyne?
The molecular formula of 1-Phenyl-1-octyne is C14H18.
What is the molecular weight of 1-Phenyl-1-octyne?
The molecular weight of 1-Phenyl-1-octyne is 186.14 g/mol.
Where can I buy 1-Phenyl-1-octyne?
You can request a quote for 1-Phenyl-1-octyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1-octyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1-octyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.