9-冠-3
TL;DR: 9-冠-3 (CAS 27725-91-3) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-冠-3
1,4,7-trioxonane
Also Known As: 1,4,7-trioxonane, 9-crown-3, Ethylene oxide trimer, 1,4,7-trioxacyclononane, diethylenglycolmonoethylenether
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 27725-91-3 |
|---|---|
| SMILES | C1COCCOCCO1 |
| InChIKey | RCIDBLLMZGGECJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-冠-3 (CAS 27725-91-3), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 1,4,7-trioxonane.
Chemical Property Profile of 9-冠-3
Property Insights of 9-冠-3
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-冠-3. With a topological polar surface area (TPSA) of 27.7 Ų, 9-冠-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-冠-3 has 0 hydrogen bond donor(s) and 3 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 9-冠-3?
The CAS number of 9-冠-3 is 27725-91-3.
What is the molecular formula of 9-冠-3?
The molecular formula of 9-冠-3 is C6H12O3.
What is the molecular weight of 9-冠-3?
The molecular weight of 9-冠-3 is 132.08 g/mol.
Where can I buy 9-冠-3?
You can request a quote for 9-冠-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-冠-3?
Yes, KEHONG BIO provides custom synthesis services for 9-冠-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.