4-(4-Hydroxyphenoxy)phthalonitrile
TL;DR: 4-(4-Hydroxyphenoxy)phthalonitrile (CAS 105985-10-2) is a chemical compound with molecular formula C14H8N2O2 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxyphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(4-Hydroxyphenoxy)phthalonitrile, 4-(4-hydroxyphenoxy)benzene-1,2-dicarbonitrile, J2.714.225G, 4-(4'-hydroxyphenoxy)-1,2-benzenedicarbonitrile, 1,2-Benzenedicarbonitrile, 4-(4-hydroxyphenoxy)-
| Molecular Formula | C14H8N2O2 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.92786 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.05858 |
| Heavy Atoms | 18 |
| Complexity | 648.97473 |
Chemical Identifiers
| CAS Number | 105985-10-2 |
|---|---|
| SMILES | C1=CC(=CC=C1O)OC2=CC(=C(C=C2)C#N)C#N |
Product Overview
4-(4-Hydroxyphenoxy)phthalonitrile (CAS 105985-10-2), with molecular formula C14H8N2O2 and molecular weight 236.06 g/mol. IUPAC: 4-(4-hydroxyphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Hydroxyphenoxy)phthalonitrile
Property Insights of 4-(4-Hydroxyphenoxy)phthalonitrile
The XLogP value of 2.92786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Hydroxyphenoxy)phthalonitrile. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Hydroxyphenoxy)phthalonitrile. Following Lipinski's Rule of Five, 4-(4-Hydroxyphenoxy)phthalonitrile has 1 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-Hydroxyphenoxy)phthalonitrile?
The CAS number of 4-(4-Hydroxyphenoxy)phthalonitrile is 105985-10-2.
What is the molecular formula of 4-(4-Hydroxyphenoxy)phthalonitrile?
The molecular formula of 4-(4-Hydroxyphenoxy)phthalonitrile is C14H8N2O2.
What is the molecular weight of 4-(4-Hydroxyphenoxy)phthalonitrile?
The molecular weight of 4-(4-Hydroxyphenoxy)phthalonitrile is 236.06 g/mol.
Where can I buy 4-(4-Hydroxyphenoxy)phthalonitrile?
You can request a quote for 4-(4-Hydroxyphenoxy)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-Hydroxyphenoxy)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Hydroxyphenoxy)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.