4-Phenyl-1-butyne
TL;DR: 4-Phenyl-1-butyne (CAS 16520-62-0) is a chemical compound with molecular formula C10H10 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynylbenzene
Also Known As: 4-Phenyl-1-butyne, 3-Butynylbenzene, but-3-ynylbenzene, Phenethylacetylene, but-3-yn-1-ylbenzene
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 16520-62-0 |
|---|---|
| SMILES | C#CCCC1=CC=CC=C1 |
| InChIKey | QDEOKXOYHYUKMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-1-butyne (CAS 16520-62-0), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: but-3-ynylbenzene.
Chemical Property Profile of 4-Phenyl-1-butyne
Property Insights of 4-Phenyl-1-butyne
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1-butyne. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Phenyl-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1-butyne 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 4-Phenyl-1-butyne?
The CAS number of 4-Phenyl-1-butyne is 16520-62-0.
What is the molecular formula of 4-Phenyl-1-butyne?
The molecular formula of 4-Phenyl-1-butyne is C10H10.
What is the molecular weight of 4-Phenyl-1-butyne?
The molecular weight of 4-Phenyl-1-butyne is 130.08 g/mol.
Where can I buy 4-Phenyl-1-butyne?
You can request a quote for 4-Phenyl-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.