桶烯
TL;DR: 桶烯 (CAS 500-24-3) is a chemical compound with molecular formula C1=CC2C=CC1C=C2 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
桶烯
bicyclo[2.2.2]octa-2,5,7-triene
Also Known As: Barrelene, Bicyclo[2.2.2]octa-2,5,7-triene, BARRELENE [MI], Bicyclo(2.2.2)octa-2,5,7-triene, RefChem:116580
| Molecular Formula | C1=CC2C=CC1C=C2 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 2.3 |
| 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 | 121.0 |
Chemical Identifiers
| CAS Number | 500-24-3 |
|---|---|
| SMILES | C1=CC2C=CC1C=C2 |
| InChIKey | RHCCUQVVABYRDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
桶烯 (CAS 500-24-3), with molecular formula C1=CC2C=CC1C=C2 and molecular weight 104.06 g/mol. IUPAC: bicyclo[2.2.2]octa-2,5,7-triene.
Chemical Property Profile of 桶烯
Property Insights of 桶烯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 桶烯. With a topological polar surface area (TPSA) of 0.0 Ų, 桶烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 桶烯 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 桶烯?
The CAS number of 桶烯 is 500-24-3.
What is the molecular formula of 桶烯?
The molecular formula of 桶烯 is C1=CC2C=CC1C=C2.
What is the molecular weight of 桶烯?
The molecular weight of 桶烯 is 104.06 g/mol.
Where can I buy 桶烯?
You can request a quote for 桶烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 桶烯?
Yes, KEHONG BIO provides custom synthesis services for 桶烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.