1-Ethynyl-4-hexylbenzene
TL;DR: 1-Ethynyl-4-hexylbenzene (CAS 79887-11-9) 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.
1-ethynyl-4-hexylbenzene
Also Known As: 1-Ethynyl-4-hexylbenzene, 1-Eth-1-ynyl-4-hexylbenzene, 4-Hexyl-1-ethynylbenzene, 4-n-Hexylphenylacetylene, 4-Hexylphenylacetylene
| Molecular Formula | C14H18 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 3.7907 |
| 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 | 286.8095 |
Chemical Identifiers
| CAS Number | 79887-11-9 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C#C |
Product Overview
1-Ethynyl-4-hexylbenzene (CAS 79887-11-9), with molecular formula C14H18 and molecular weight 186.14 g/mol. IUPAC: 1-ethynyl-4-hexylbenzene.
Chemical Property Profile of 1-Ethynyl-4-hexylbenzene
Property Insights of 1-Ethynyl-4-hexylbenzene
The XLogP value of 3.7907 indicates that 1-Ethynyl-4-hexylbenzene 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-Ethynyl-4-hexylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-4-hexylbenzene 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-Ethynyl-4-hexylbenzene?
The CAS number of 1-Ethynyl-4-hexylbenzene is 79887-11-9.
What is the molecular formula of 1-Ethynyl-4-hexylbenzene?
The molecular formula of 1-Ethynyl-4-hexylbenzene is C14H18.
What is the molecular weight of 1-Ethynyl-4-hexylbenzene?
The molecular weight of 1-Ethynyl-4-hexylbenzene is 186.14 g/mol.
Where can I buy 1-Ethynyl-4-hexylbenzene?
You can request a quote for 1-Ethynyl-4-hexylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-4-hexylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-4-hexylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.