1-Ethynyl-4-propylbenzene
TL;DR: 1-Ethynyl-4-propylbenzene (CAS 62452-73-7) is a chemical compound with molecular formula C11H12 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-4-propylbenzene
Also Known As: 1-Ethynyl-4-propylbenzene, 4-Propylphenylacetylene, 1-ETH-1-YNYL-4-PROPYLBENZENE, 4-n-Propylphenylacetylene, 1-ethynyl-4-propyl-benzene
| Molecular Formula | C11H12 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 2.6204 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.0939 |
| Heavy Atoms | 11 |
| Complexity | 248.36195 |
Chemical Identifiers
| CAS Number | 62452-73-7 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C#C |
Product Overview
1-Ethynyl-4-propylbenzene (CAS 62452-73-7), with molecular formula C11H12 and molecular weight 144.09 g/mol. IUPAC: 1-ethynyl-4-propylbenzene.
Chemical Property Profile of 1-Ethynyl-4-propylbenzene
Property Insights of 1-Ethynyl-4-propylbenzene
The XLogP value of 2.6204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-4-propylbenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethynyl-4-propylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-4-propylbenzene 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-propylbenzene?
The CAS number of 1-Ethynyl-4-propylbenzene is 62452-73-7.
What is the molecular formula of 1-Ethynyl-4-propylbenzene?
The molecular formula of 1-Ethynyl-4-propylbenzene is C11H12.
What is the molecular weight of 1-Ethynyl-4-propylbenzene?
The molecular weight of 1-Ethynyl-4-propylbenzene is 144.09 g/mol.
Where can I buy 1-Ethynyl-4-propylbenzene?
You can request a quote for 1-Ethynyl-4-propylbenzene 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-propylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-4-propylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.