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Bicyclo[2.1.1]hex-2-ene
TL;DR: Bicyclo[2.1.1]hex-2-ene (CAS 822-41-3) is a chemical compound with molecular formula C1C2CC1C=C2 and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.1.1]hex-2-ene
Also Known As: Bicyclo[2.1.1]hex-2-ene, Bicyclo(2.1.1)hex-2-ene, Bicyclo[2.1.1]hexa-2-ene, J1.213.098H, RefChem:119667
| Molecular Formula | C1C2CC1C=C2 |
|---|---|
| Molecular Weight | 80.06 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 | 80.0626 |
| Heavy Atoms | 6 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 822-41-3 |
|---|---|
| SMILES | C1C2CC1C=C2 |
| InChIKey | YWDBHFZUBPOPRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.1.1]hex-2-ene (CAS 822-41-3), with molecular formula C1C2CC1C=C2 and molecular weight 80.06 g/mol. IUPAC: bicyclo[2.1.1]hex-2-ene.
Chemical Property Profile of Bicyclo[2.1.1]hex-2-ene
Property Insights of Bicyclo[2.1.1]hex-2-ene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.1.1]hex-2-ene. With a topological polar surface area (TPSA) of 0.0 Ų, Bicyclo[2.1.1]hex-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.1.1]hex-2-ene 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 Bicyclo[2.1.1]hex-2-ene?
The CAS number of Bicyclo[2.1.1]hex-2-ene is 822-41-3.
What is the molecular formula of Bicyclo[2.1.1]hex-2-ene?
The molecular formula of Bicyclo[2.1.1]hex-2-ene is C1C2CC1C=C2.
What is the molecular weight of Bicyclo[2.1.1]hex-2-ene?
The molecular weight of Bicyclo[2.1.1]hex-2-ene is 80.06 g/mol.
Where can I buy Bicyclo[2.1.1]hex-2-ene?
You can request a quote for Bicyclo[2.1.1]hex-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.1.1]hex-2-ene?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.1.1]hex-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.