4-Ethynyl-1,1'-biphenyl
TL;DR: 4-Ethynyl-1,1'-biphenyl (CAS 29079-00-3) is a chemical compound with molecular formula C14H10 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-4-phenylbenzene
Also Known As: 4-Ethynyl-1,1'-biphenyl, 4-Ethynylbiphenyl, 4-Biphenylylacetylene, 4-Biphenylacetylene, 4-ethynyl-biphenyl
| Molecular Formula | C14H10 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.07825 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 29079-00-3 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | BPBNKCIVWFCMJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethynyl-1,1'-biphenyl (CAS 29079-00-3), with molecular formula C14H10 and molecular weight 178.08 g/mol. IUPAC: 1-ethynyl-4-phenylbenzene.
Chemical Property Profile of 4-Ethynyl-1,1'-biphenyl
Property Insights of 4-Ethynyl-1,1'-biphenyl
The XLogP value of 4.5 indicates that 4-Ethynyl-1,1'-biphenyl 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-Ethynyl-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-1,1'-biphenyl 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-Ethynyl-1,1'-biphenyl?
The CAS number of 4-Ethynyl-1,1'-biphenyl is 29079-00-3.
What is the molecular formula of 4-Ethynyl-1,1'-biphenyl?
The molecular formula of 4-Ethynyl-1,1'-biphenyl is C14H10.
What is the molecular weight of 4-Ethynyl-1,1'-biphenyl?
The molecular weight of 4-Ethynyl-1,1'-biphenyl is 178.08 g/mol.
Where can I buy 4-Ethynyl-1,1'-biphenyl?
You can request a quote for 4-Ethynyl-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynyl-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynyl-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.