苯并环丁烯
TL;DR: 苯并环丁烯 (CAS 694-87-1) is a chemical compound with molecular formula C8H8 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并环丁烯
bicyclo[4.2.0]octa-1,3,5-triene
Also Known As: Benzocyclobutene, Bicyclo[4.2.0]octa-1,3,5-triene, Cardene, Benzocyclobutane, Nortricyclone
| Molecular Formula | C8H8 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 694-87-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C21 |
| InChIKey | UMIVXZPTRXBADB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并环丁烯 (CAS 694-87-1), with molecular formula C8H8 and molecular weight 104.06 g/mol. IUPAC: bicyclo[4.2.0]octa-1,3,5-triene.
Chemical Property Profile of 苯并环丁烯
Property Insights of 苯并环丁烯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并环丁烯. With a topological polar surface area (TPSA) of 0.0 Ų, 苯并环丁烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并环丁烯 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 苯并环丁烯?
The CAS number of 苯并环丁烯 is 694-87-1.
What is the molecular formula of 苯并环丁烯?
The molecular formula of 苯并环丁烯 is C8H8.
What is the molecular weight of 苯并环丁烯?
The molecular weight of 苯并环丁烯 is 104.06 g/mol.
Where can I buy 苯并环丁烯?
You can request a quote for 苯并环丁烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并环丁烯?
Yes, KEHONG BIO provides custom synthesis services for 苯并环丁烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.