杜瓦苯
TL;DR: 杜瓦苯 (CAS 5649-95-6) is a chemical compound with molecular formula C6H6 and molecular weight 78.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
杜瓦苯
bicyclo[2.2.0]hexa-2,5-diene
Also Known As: Dewar benzene, Tectene, dewar-benzene, Bicyclo[2.2.0]hexa-2,5-diene, Bicyclo(2.2.0)hexa-2,5-diene
| Molecular Formula | C6H6 |
|---|---|
| Molecular Weight | 78.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 78.04695 |
| Heavy Atoms | 6 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 5649-95-6 |
|---|---|
| SMILES | C1=CC2C1C=C2 |
| InChIKey | CTLSARLLLBZBRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
杜瓦苯 (CAS 5649-95-6), with molecular formula C6H6 and molecular weight 78.05 g/mol. IUPAC: bicyclo[2.2.0]hexa-2,5-diene.
Chemical Property Profile of 杜瓦苯
Property Insights of 杜瓦苯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 杜瓦苯. With a topological polar surface area (TPSA) of 0.0 Ų, 杜瓦苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 杜瓦苯 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 杜瓦苯?
The CAS number of 杜瓦苯 is 5649-95-6.
What is the molecular formula of 杜瓦苯?
The molecular formula of 杜瓦苯 is C6H6.
What is the molecular weight of 杜瓦苯?
The molecular weight of 杜瓦苯 is 78.05 g/mol.
Where can I buy 杜瓦苯?
You can request a quote for 杜瓦苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 杜瓦苯?
Yes, KEHONG BIO provides custom synthesis services for 杜瓦苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.