4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile
TL;DR: 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile (CAS 696616-53-2) is a chemical compound with molecular formula C19H16ClN3O and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile
Also Known As: 4-(4-chlorophenoxy)-5-(1-piperidinyl)phthalonitrile, 4-(4-chlorophenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile, 5-(4-chlorophenoxy)-4-piperidylbenzene-1,2-dicarbonitrile, 4-(4-CHLOROPHENOXY)-2-CYANO-5-PIPERIDINOPHENYL CYANIDE, 4-(4-chlorophenoxy)-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile
| Molecular Formula | C19H16ClN3O |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 4.86596 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.09818 |
| Heavy Atoms | 24 |
| Complexity | 812.23114 |
Chemical Identifiers
| CAS Number | 696616-53-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)Cl |
Product Overview
4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile (CAS 696616-53-2), with molecular formula C19H16ClN3O and molecular weight 337.10 g/mol. IUPAC: 4-(4-chlorophenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile
Property Insights of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile
The XLogP value of 4.86596 indicates that 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile 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-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile?
The CAS number of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile is 696616-53-2.
What is the molecular formula of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile?
The molecular formula of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile is C19H16ClN3O.
What is the molecular weight of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile?
The molecular weight of 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile is 337.10 g/mol.
Where can I buy 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile?
You can request a quote for 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenoxy)-5-(1-piperidinyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.