1,2-Epoxyoctahydropentalene
TL;DR: 1,2-Epoxyoctahydropentalene (CAS 6567-98-2) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxatricyclo[4.3.0.02,4]nonane
Also Known As: 1,2-Epoxyoctahydropentalene, 5-Isoxazolepropanoicacid,3-bromo, Octahydropentaleno[1,2-b]oxirene, Octahydropentaleno[1,2-b]oxirene #, OCTAHYDROPENTALENO(1,2-B)OXIRENE
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 6567-98-2 |
|---|---|
| SMILES | C1CC2CC3C(C2C1)O3 |
| InChIKey | WMSIDAPKDOLAKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Epoxyoctahydropentalene (CAS 6567-98-2), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 3-oxatricyclo[4.3.0.02,4]nonane.
Chemical Property Profile of 1,2-Epoxyoctahydropentalene
Property Insights of 1,2-Epoxyoctahydropentalene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Epoxyoctahydropentalene. With a topological polar surface area (TPSA) of 12.5 Ų, 1,2-Epoxyoctahydropentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Epoxyoctahydropentalene has 0 hydrogen bond donor(s) and 1 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 1,2-Epoxyoctahydropentalene?
The CAS number of 1,2-Epoxyoctahydropentalene is 6567-98-2.
What is the molecular formula of 1,2-Epoxyoctahydropentalene?
The molecular formula of 1,2-Epoxyoctahydropentalene is C8H12O.
What is the molecular weight of 1,2-Epoxyoctahydropentalene?
The molecular weight of 1,2-Epoxyoctahydropentalene is 124.09 g/mol.
Where can I buy 1,2-Epoxyoctahydropentalene?
You can request a quote for 1,2-Epoxyoctahydropentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Epoxyoctahydropentalene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Epoxyoctahydropentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.