1,4-Cineole
TL;DR: 1,4-Cineole (CAS 470-67-7) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Also Known As: 1,4-Cineole, Isocineole, 1,4-Cineol, p-Cineole, Isocineple
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
| Melting Point | 1 °C |
| Boiling Point | 65.00 °C. @ 16.00 mm Hg |
Chemical Identifiers
| CAS Number | 470-67-7 |
|---|---|
| SMILES | CC(C)C12CCC(O1)(CC2)C |
| InChIKey | RFFOTVCVTJUTAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cineole (CAS 470-67-7), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane.
Chemical Property Profile of 1,4-Cineole
Property Insights of 1,4-Cineole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cineole. With a topological polar surface area (TPSA) of 9.2 Ų, 1,4-Cineole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cineole 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 1,4-Cineole?
The CAS number of 1,4-Cineole is 470-67-7.
What is the molecular formula of 1,4-Cineole?
The molecular formula of 1,4-Cineole is C10H18O.
What is the molecular weight of 1,4-Cineole?
The molecular weight of 1,4-Cineole is 154.14 g/mol.
Where can I buy 1,4-Cineole?
You can request a quote for 1,4-Cineole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cineole?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cineole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.