1-Phenyl-1-hexyne
TL;DR: 1-Phenyl-1-hexyne (CAS 1129-65-3) is a chemical compound with molecular formula CCCCC#CC1=CC=CC=C1 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-1-ynylbenzene
Also Known As: 1-Phenyl-1-hexyne, hex-1-ynylbenzene, 1-Hexynylbenzene, Benzene, 1-hexynyl-, hex-1-yn-1-ylbenzene
| Molecular Formula | CCCCC#CC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 1129-65-3 |
|---|---|
| SMILES | CCCCC#CC1=CC=CC=C1 |
| InChIKey | VBRLZTLFLNZEPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1-hexyne (CAS 1129-65-3), with molecular formula CCCCC#CC1=CC=CC=C1 and molecular weight 158.11 g/mol. IUPAC: hex-1-ynylbenzene.
Chemical Property Profile of 1-Phenyl-1-hexyne
Property Insights of 1-Phenyl-1-hexyne
The XLogP value of 4.2 indicates that 1-Phenyl-1-hexyne 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-hexyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1-hexyne 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-Phenyl-1-hexyne?
The CAS number of 1-Phenyl-1-hexyne is 1129-65-3.
What is the molecular formula of 1-Phenyl-1-hexyne?
The molecular formula of 1-Phenyl-1-hexyne is CCCCC#CC1=CC=CC=C1.
What is the molecular weight of 1-Phenyl-1-hexyne?
The molecular weight of 1-Phenyl-1-hexyne is 158.11 g/mol.
Where can I buy 1-Phenyl-1-hexyne?
You can request a quote for 1-Phenyl-1-hexyne 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-hexyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1-hexyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.