![3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile structure](/static/products/7227/7227-90-9.webp)
3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile
TL;DR: 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile (CAS 7227-90-9) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)propanenitrile
Also Known As: 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile, RefChem:317647
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.23108 |
| Topological Polar Surface Area | 79.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 735.3671 |
Chemical Identifiers
| CAS Number | 7227-90-9 |
|---|---|
| SMILES | C1COC2=CC=CC=C2OCC(COC3=CC=CC=C3OCCO1)OCCC#N |
Product Overview
3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile (CAS 7227-90-9), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: 3-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)propanenitrile.
Chemical Property Profile of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile
Property Insights of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile
The XLogP value of 3.23108 indicates that 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile. Following Lipinski's Rule of Five, 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile has 0 hydrogen bond donor(s) and 7 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-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile?
The CAS number of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile is 7227-90-9.
What is the molecular formula of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile?
The molecular formula of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile is C22H25NO6.
What is the molecular weight of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile?
The molecular weight of 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile is 399.17 g/mol.
Where can I buy 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile?
You can request a quote for 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6,7,9,10,18,19-Hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.