3-(4-Benzylphenoxy)phthalonitrile
TL;DR: 3-(4-Benzylphenoxy)phthalonitrile (CAS 356087-58-6) is a chemical compound with molecular formula C21H14N2O and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 3-(4-benzylphenoxy)phthalonitrile, 3-(4-benzylphenoxy)benzene-1,2-dicarbonitrile, 3-[4-benzylphenoxy]benzene-1,2-dicarbonitrile, 2-(4-BENZYLPHENOXY)-6-CYANOPHENYL CYANIDE
| Molecular Formula | C21H14N2O |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.81306 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.11063 |
| Heavy Atoms | 24 |
| Complexity | 916.79285 |
Chemical Identifiers
| CAS Number | 356087-58-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)OC3=CC=CC(=C3C#N)C#N |
Product Overview
3-(4-Benzylphenoxy)phthalonitrile (CAS 356087-58-6), with molecular formula C21H14N2O and molecular weight 310.11 g/mol. IUPAC: 3-(4-benzylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-(4-Benzylphenoxy)phthalonitrile
Property Insights of 3-(4-Benzylphenoxy)phthalonitrile
The XLogP value of 4.81306 indicates that 3-(4-Benzylphenoxy)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 3-(4-Benzylphenoxy)phthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Benzylphenoxy)phthalonitrile has 0 hydrogen bond donor(s) and 3 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-(4-Benzylphenoxy)phthalonitrile?
The CAS number of 3-(4-Benzylphenoxy)phthalonitrile is 356087-58-6.
What is the molecular formula of 3-(4-Benzylphenoxy)phthalonitrile?
The molecular formula of 3-(4-Benzylphenoxy)phthalonitrile is C21H14N2O.
What is the molecular weight of 3-(4-Benzylphenoxy)phthalonitrile?
The molecular weight of 3-(4-Benzylphenoxy)phthalonitrile is 310.11 g/mol.
Where can I buy 3-(4-Benzylphenoxy)phthalonitrile?
You can request a quote for 3-(4-Benzylphenoxy)phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Benzylphenoxy)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Benzylphenoxy)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.