12-冠-4
TL;DR: 12-冠-4 (CAS 294-93-9) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-冠-4
1,4,7,10-tetraoxacyclododecane
Also Known As: 12-Crown-4, 1,4,7,10-TETRAOXACYCLODODECANE, EOCT, 12-Crown-4 ether, Ethylene oxide cyclic tetramer
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 294-93-9 |
|---|---|
| SMILES | C1COCCOCCOCCO1 |
| InChIKey | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-冠-4 (CAS 294-93-9), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: 1,4,7,10-tetraoxacyclododecane.
Chemical Property Profile of 12-冠-4
Property Insights of 12-冠-4
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-冠-4. With a topological polar surface area (TPSA) of 36.9 Ų, 12-冠-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-冠-4 has 0 hydrogen bond donor(s) and 4 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 12-冠-4?
The CAS number of 12-冠-4 is 294-93-9.
What is the molecular formula of 12-冠-4?
The molecular formula of 12-冠-4 is C8H16O4.
What is the molecular weight of 12-冠-4?
The molecular weight of 12-冠-4 is 176.10 g/mol.
Where can I buy 12-冠-4?
You can request a quote for 12-冠-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-冠-4?
Yes, KEHONG BIO provides custom synthesis services for 12-冠-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.