1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
TL;DR: 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) (CAS 55075-35-9) is a chemical compound with molecular formula C16H30N2O6 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(acetonitrile);1,4,7,10,13,16-hexaoxacyclooctadecane
Also Known As: 18-Crown-6 ether acetonitrile complex, 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2), Silane,(1,1-dimethylethoxy)ethenyldimethyl, 1,4,7,10,13,16-hexaoxacyclooctadecane, compd. with acetonitrile(1:2), acetonitrile,1,4,7,10,13,16-hexaoxacyclooctadecane
| Molecular Formula | C16H30N2O6 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 1.16 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.2104 |
| Heavy Atoms | 24 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 55075-35-9 |
|---|---|
| SMILES | CC#N.CC#N.C1COCCOCCOCCOCCOCCO1 |
| InChIKey | XFFHJHRKTCXIFN-UHFFFAOYSA-N |
Product Overview
1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) (CAS 55075-35-9), with molecular formula C16H30N2O6 and molecular weight 346.21 g/mol. IUPAC: bis(acetonitrile);1,4,7,10,13,16-hexaoxacyclooctadecane.
Chemical Property Profile of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
Property Insights of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
The XLogP value of 1.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2). The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2). Following Lipinski's Rule of Five, 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) has 0 hydrogen bond donor(s) and 8 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 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)?
The CAS number of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) is 55075-35-9.
What is the molecular formula of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)?
The molecular formula of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) is C16H30N2O6.
What is the molecular weight of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)?
The molecular weight of 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) is 346.21 g/mol.
Where can I buy 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)?
You can request a quote for 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.