(4-Phenyl-1-buten-3-yn-1-yl)benzene
TL;DR: (4-Phenyl-1-buten-3-yn-1-yl)benzene (CAS 13343-79-8) is a chemical compound with molecular formula C16H12 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbut-1-en-3-ynylbenzene
Also Known As: 1,4-diphenylbut-1-en-3-yne, 4-phenylbut-1-en-3-ynylbenzene, (4-Phenyl-1-buten-3-yn-1-yl)benzene, (1Z)-1,4-diphenylbut-1-en-3-yne, [(Z)-4-phenylbut-1-en-3-ynyl]benzene
| Molecular Formula | C16H12 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0939 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 13343-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC#CC2=CC=CC=C2 |
| InChIKey | LHNRWGOBPNCPKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Phenyl-1-buten-3-yn-1-yl)benzene (CAS 13343-79-8), with molecular formula C16H12 and molecular weight 204.09 g/mol. IUPAC: 4-phenylbut-1-en-3-ynylbenzene.
Chemical Property Profile of (4-Phenyl-1-buten-3-yn-1-yl)benzene
Property Insights of (4-Phenyl-1-buten-3-yn-1-yl)benzene
The XLogP value of 4.6 indicates that (4-Phenyl-1-buten-3-yn-1-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (4-Phenyl-1-buten-3-yn-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Phenyl-1-buten-3-yn-1-yl)benzene 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-buten-3-yn-1-yl)benzene?
The CAS number of (4-Phenyl-1-buten-3-yn-1-yl)benzene is 13343-79-8.
What is the molecular formula of (4-Phenyl-1-buten-3-yn-1-yl)benzene?
The molecular formula of (4-Phenyl-1-buten-3-yn-1-yl)benzene is C16H12.
What is the molecular weight of (4-Phenyl-1-buten-3-yn-1-yl)benzene?
The molecular weight of (4-Phenyl-1-buten-3-yn-1-yl)benzene is 204.09 g/mol.
Where can I buy (4-Phenyl-1-buten-3-yn-1-yl)benzene?
You can request a quote for (4-Phenyl-1-buten-3-yn-1-yl)benzene 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-buten-3-yn-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Phenyl-1-buten-3-yn-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.