Spirohexane
TL;DR: Spirohexane (CAS 157-45-9) is a chemical compound with molecular formula C1CC2(C1)CC2 and molecular weight 82.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2.3]hexane
Also Known As: Spirohexane, spiro[2.3]hexane, spiro[2,3]hexane, RefChem:381235
| Molecular Formula | C1CC2(C1)CC2 |
|---|---|
| Molecular Weight | 82.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 82.07825 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 157-45-9 |
|---|---|
| SMILES | C1CC2(C1)CC2 |
| InChIKey | FYGUBWKMMCWIKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spirohexane (CAS 157-45-9), with molecular formula C1CC2(C1)CC2 and molecular weight 82.08 g/mol. IUPAC: spiro[2.3]hexane.
Chemical Property Profile of Spirohexane
Property Insights of Spirohexane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirohexane. With a topological polar surface area (TPSA) of 0.0 Ų, Spirohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirohexane 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 Spirohexane?
The CAS number of Spirohexane is 157-45-9.
What is the molecular formula of Spirohexane?
The molecular formula of Spirohexane is C1CC2(C1)CC2.
What is the molecular weight of Spirohexane?
The molecular weight of Spirohexane is 82.08 g/mol.
Where can I buy Spirohexane?
You can request a quote for Spirohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirohexane?
Yes, KEHONG BIO provides custom synthesis services for Spirohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.