Calix-4-bis-crown-6
TL;DR: Calix-4-bis-crown-6 (CAS 157769-14-7) is a chemical compound with molecular formula C48H60O12 and molecular weight 828.40845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6,9,12,15,18,32,35,38,41,44,47-dodecaoxaheptacyclo[28.28.1.120,49.02,55.019,24.026,31.048,53]hexaconta-1(58),2(55),19,21,23,26,28,30,48(53),49,51,56-dodecaene
Also Known As: Calix[4]biscrown6, Calix[4]-bis-crown-6, Calix-4-bis-crown-6, I14-58928, 3,6,9,12,15,18,32,35,38,41,44,47-dodecaoxaheptacyclo[28.28.1.120,49.02,55.019,24.026,31.048,53]hexaconta-1(58),2(55),19,21,23,26,28,30,48(53),49,51,56-dodecaene
Technical Specifications
| Molecular Formula | C48H60O12 |
| Molecular Weight | 828.40845 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 828.40845 Da |
| Heavy Atoms | 60 |
| Complexity | 909.0 |
| SMILES | C1COCCOCCOC2=C3CC4=CC=CC5=C4OCCOCCOCCOCCOCCOC6=C(CC7=CC=CC(=C7OCCOCCO1)C5)C=CC=C6CC2=CC=C3 |
| InChIKey | SDSAPCZEAVCSPS-UHFFFAOYSA-N |
Chemical Property Profile of Calix-4-bis-crown-6
Property Insights of Calix-4-bis-crown-6
The XLogP value of 5.9 indicates that Calix-4-bis-crown-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calix-4-bis-crown-6. Following Lipinski's Rule of Five, Calix-4-bis-crown-6 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Calix-4-bis-crown-6?
The CAS number of Calix-4-bis-crown-6 is 157769-14-7.
What is the molecular formula of Calix-4-bis-crown-6?
The molecular formula of Calix-4-bis-crown-6 is C48H60O12.
What is the molecular weight of Calix-4-bis-crown-6?
The molecular weight of Calix-4-bis-crown-6 is 828.40845 g/mol.
Where can I buy Calix-4-bis-crown-6?
You can request a quote for Calix-4-bis-crown-6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calix-4-bis-crown-6?
Yes, CoreyChem provides custom synthesis services for Calix-4-bis-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.