二苯基乙炔
TL;DR: 二苯基乙炔 (CAS 501-65-5) 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.
二苯基乙炔
2-phenylethynylbenzene
Also Known As: DIPHENYLACETYLENE, Tolan, 1,2-diphenylethyne, Diphenylethyne, Tolane
| Molecular Formula | C14H10 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 4.8 |
| 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 | 193.0 |
Chemical Identifiers
| CAS Number | 501-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC=C2 |
| InChIKey | JRXXLCKWQFKACW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯基乙炔 (CAS 501-65-5), with molecular formula C14H10 and molecular weight 178.08 g/mol. IUPAC: 2-phenylethynylbenzene.
Chemical Property Profile of 二苯基乙炔
Property Insights of 二苯基乙炔
The XLogP value of 4.8 indicates that 二苯基乙炔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 二苯基乙炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯基乙炔 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 二苯基乙炔?
The CAS number of 二苯基乙炔 is 501-65-5.
What is the molecular formula of 二苯基乙炔?
The molecular formula of 二苯基乙炔 is C14H10.
What is the molecular weight of 二苯基乙炔?
The molecular weight of 二苯基乙炔 is 178.08 g/mol.
Where can I buy 二苯基乙炔?
You can request a quote for 二苯基乙炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯基乙炔?
Yes, KEHONG BIO provides custom synthesis services for 二苯基乙炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.