![3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile structure](/static/products/5544/55440-90-9.webp)
3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile
TL;DR: 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile (CAS 55440-90-9) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile
Also Known As: 3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile, 3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-17,19,21-triene-21-carbonitrile
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 1.65488 |
| Topological Polar Surface Area | 69.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 465.99738 |
Chemical Identifiers
| CAS Number | 55440-90-9 |
|---|---|
| SMILES | C1COCCOCC2=C(C(=CC=C2)COCCOCCO1)C#N |
Product Overview
3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile (CAS 55440-90-9), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: 3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile.
Chemical Property Profile of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile
Property Insights of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile
The XLogP value of 1.65488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile. The TPSA of 69.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile. Following Lipinski's Rule of Five, 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile has 0 hydrogen bond donor(s) and 6 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 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile?
The CAS number of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile is 55440-90-9.
What is the molecular formula of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile?
The molecular formula of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile is C17H23NO5.
What is the molecular weight of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile?
The molecular weight of 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile is 321.16 g/mol.
Where can I buy 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile?
You can request a quote for 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.