苯炔
TL;DR: 苯炔 (CAS 462-80-6) is a chemical compound with molecular formula C6H4 and molecular weight 76.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯炔
cyclohexa-1,3-dien-5-yne
Also Known As: Benzyne, o-Benzyne, Dehydrobenzene, 1,2-Dehydrobenzene, Arine
| Molecular Formula | C6H4 |
|---|---|
| Molecular Weight | 76.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.0313 |
| Heavy Atoms | 6 |
| Complexity | 25.0 |
Chemical Identifiers
| CAS Number | 462-80-6 |
|---|---|
| SMILES | C1=CC#CC=C1 |
| InChIKey | KLYCPFXDDDMZNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯炔 (CAS 462-80-6), with molecular formula C6H4 and molecular weight 76.03 g/mol. IUPAC: cyclohexa-1,3-dien-5-yne.
Chemical Property Profile of 苯炔
Property Insights of 苯炔
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯炔. With a topological polar surface area (TPSA) of 0.0 Ų, 苯炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯炔 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 苯炔?
The CAS number of 苯炔 is 462-80-6.
What is the molecular formula of 苯炔?
The molecular formula of 苯炔 is C6H4.
What is the molecular weight of 苯炔?
The molecular weight of 苯炔 is 76.03 g/mol.
Where can I buy 苯炔?
You can request a quote for 苯炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯炔?
Yes, KEHONG BIO provides custom synthesis services for 苯炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.