4-Phenoxyphthalonitrile
TL;DR: 4-Phenoxyphthalonitrile (CAS 39015-85-5) is a chemical compound with molecular formula C14H8N2O and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenoxybenzene-1,2-dicarbonitrile
Also Known As: 4-Phenoxyphthalonitrile, 4-Phenoxybenzene-1,2-dinitrile, 4-phenoxybenzene-1,2-dicarbonitrile, 4-phenoxy-phthalonitrile, Phthalonitrile analogue, 4a
| Molecular Formula | C14H8N2O |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.06366 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 39015-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N |
| InChIKey | CRZSSXUMRNESCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenoxyphthalonitrile (CAS 39015-85-5), with molecular formula C14H8N2O and molecular weight 220.06 g/mol. IUPAC: 4-phenoxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Phenoxyphthalonitrile
Property Insights of 4-Phenoxyphthalonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenoxyphthalonitrile. With a topological polar surface area (TPSA) of 56.8 Ų, 4-Phenoxyphthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenoxyphthalonitrile 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 4-Phenoxyphthalonitrile?
The CAS number of 4-Phenoxyphthalonitrile is 39015-85-5.
What is the molecular formula of 4-Phenoxyphthalonitrile?
The molecular formula of 4-Phenoxyphthalonitrile is C14H8N2O.
What is the molecular weight of 4-Phenoxyphthalonitrile?
The molecular weight of 4-Phenoxyphthalonitrile is 220.06 g/mol.
Where can I buy 4-Phenoxyphthalonitrile?
You can request a quote for 4-Phenoxyphthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenoxyphthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenoxyphthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.