4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile
TL;DR: 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile (CAS 696629-29-5) is a chemical compound with molecular formula C19H16BrN3O and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile
Also Known As: 4-(4-bromophenoxy)-5-(1-piperidinyl)phthalonitrile, 4-(4-bromophenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile, 4-(4-bromophenoxy)-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile, 5-(4-bromophenoxy)-4-piperidylbenzene-1,2-dicarbonitrile, A3447/0146348
| Molecular Formula | C19H16BrN3O |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 4.97506 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.04767 |
| Heavy Atoms | 24 |
| Complexity | 812.23114 |
Chemical Identifiers
| CAS Number | 696629-29-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)Br |
Product Overview
4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile (CAS 696629-29-5), with molecular formula C19H16BrN3O and molecular weight 381.05 g/mol. IUPAC: 4-(4-bromophenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile
Property Insights of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile
The XLogP value of 4.97506 indicates that 4-(4-Bromophenoxy)-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-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile. Following Lipinski's Rule of Five, 4-(4-Bromophenoxy)-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-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile?
The CAS number of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile is 696629-29-5.
What is the molecular formula of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile?
The molecular formula of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile is C19H16BrN3O.
What is the molecular weight of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile?
The molecular weight of 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile is 381.05 g/mol.
Where can I buy 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile?
You can request a quote for 4-(4-Bromophenoxy)-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-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenoxy)-5-(1-piperidinyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.