4',4''(5'')-Divaleryldibenzo-18-crown-6
TL;DR: 4',4''(5'')-Divaleryldibenzo-18-crown-6 (CAS 67967-48-0) is a chemical compound with molecular formula C30H40O8 and molecular weight 528.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(24-pentanoyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)pentan-1-one
Also Known As: 4',4''(5'')-Divaleryldibenzo-18-crown-6, 1-(24-pentanoyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)pentan-1-one, 1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(pentan-1-one), 1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)di(pentan-1-one), 1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)dipentan-1-one
| Molecular Formula | C30H40O8 |
|---|---|
| Molecular Weight | 528.27 g/mol |
| LogP | 5.6946 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.27234 |
| Heavy Atoms | 38 |
| Complexity | 937.80756 |
Chemical Identifiers
| CAS Number | 67967-48-0 |
|---|---|
| SMILES | CCCCC(=O)C1=CC2=C(C=C1)OCCOCCOC3=C(C=CC(=C3)C(=O)CCCC)OCCOCCO2 |
Product Overview
4',4''(5'')-Divaleryldibenzo-18-crown-6 (CAS 67967-48-0), with molecular formula C30H40O8 and molecular weight 528.27 g/mol. IUPAC: 1-(24-pentanoyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)pentan-1-one.
Chemical Property Profile of 4',4''(5'')-Divaleryldibenzo-18-crown-6
Property Insights of 4',4''(5'')-Divaleryldibenzo-18-crown-6
The XLogP value of 5.6946 indicates that 4',4''(5'')-Divaleryldibenzo-18-crown-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',4''(5'')-Divaleryldibenzo-18-crown-6. Following Lipinski's Rule of Five, 4',4''(5'')-Divaleryldibenzo-18-crown-6 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4',4''(5'')-Divaleryldibenzo-18-crown-6?
The CAS number of 4',4''(5'')-Divaleryldibenzo-18-crown-6 is 67967-48-0.
What is the molecular formula of 4',4''(5'')-Divaleryldibenzo-18-crown-6?
The molecular formula of 4',4''(5'')-Divaleryldibenzo-18-crown-6 is C30H40O8.
What is the molecular weight of 4',4''(5'')-Divaleryldibenzo-18-crown-6?
The molecular weight of 4',4''(5'')-Divaleryldibenzo-18-crown-6 is 528.27 g/mol.
Where can I buy 4',4''(5'')-Divaleryldibenzo-18-crown-6?
You can request a quote for 4',4''(5'')-Divaleryldibenzo-18-crown-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',4''(5'')-Divaleryldibenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 4',4''(5'')-Divaleryldibenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.