4,4'-Pentamethylenedioxydibenzonitrile
TL;DR: 4,4'-Pentamethylenedioxydibenzonitrile (CAS 7467-71-2) is a chemical compound with molecular formula C19H18N2O2 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-cyanophenoxy)pentoxy]benzonitrile
Also Known As: 4,4'-Pentamethylenedioxydibenzonitrile, 4-[5-(4-cyanophenoxy)pentoxy]benzonitrile, 4,4'-(PENTANE-1,5-DIYLBIS(OXY))DIBENZONITRILE, 1,5-bis(4-cyanophenoxy)pentane, 4,4'-Dicyano-1,5-diphenoxypentane
| Molecular Formula | C19H18N2O2 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.13684 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 7467-71-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCCCCCOC2=CC=C(C=C2)C#N |
| InChIKey | DHTURPCVCDUKBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Pentamethylenedioxydibenzonitrile (CAS 7467-71-2), with molecular formula C19H18N2O2 and molecular weight 306.14 g/mol. IUPAC: 4-[5-(4-cyanophenoxy)pentoxy]benzonitrile.
Chemical Property Profile of 4,4'-Pentamethylenedioxydibenzonitrile
Property Insights of 4,4'-Pentamethylenedioxydibenzonitrile
The XLogP value of 4.1 indicates that 4,4'-Pentamethylenedioxydibenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Pentamethylenedioxydibenzonitrile. Following Lipinski's Rule of Five, 4,4'-Pentamethylenedioxydibenzonitrile has 0 hydrogen bond donor(s) and 4 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 4,4'-Pentamethylenedioxydibenzonitrile?
The CAS number of 4,4'-Pentamethylenedioxydibenzonitrile is 7467-71-2.
What is the molecular formula of 4,4'-Pentamethylenedioxydibenzonitrile?
The molecular formula of 4,4'-Pentamethylenedioxydibenzonitrile is C19H18N2O2.
What is the molecular weight of 4,4'-Pentamethylenedioxydibenzonitrile?
The molecular weight of 4,4'-Pentamethylenedioxydibenzonitrile is 306.14 g/mol.
Where can I buy 4,4'-Pentamethylenedioxydibenzonitrile?
You can request a quote for 4,4'-Pentamethylenedioxydibenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Pentamethylenedioxydibenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Pentamethylenedioxydibenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.