3-Phenoxyphthalonitrile
TL;DR: 3-Phenoxyphthalonitrile (CAS 77474-62-5) 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.
3-phenoxybenzene-1,2-dicarbonitrile
Also Known As: 3-Phenoxyphthalonitrile, 3-Phenoxy-phthalonitrile, phenoxyphthalonitrile, 3-phenoxybenzene-1,2-dicarbonitrile, 3-phenoxyphthalonitrile 98
| Molecular Formula | C14H8N2O |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 3.22226 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.06366 |
| Heavy Atoms | 17 |
| Complexity | 606.35474 |
Chemical Identifiers
| CAS Number | 77474-62-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2C#N)C#N |
Product Overview
3-Phenoxyphthalonitrile (CAS 77474-62-5), with molecular formula C14H8N2O and molecular weight 220.06 g/mol. IUPAC: 3-phenoxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-Phenoxyphthalonitrile
Property Insights of 3-Phenoxyphthalonitrile
The XLogP value of 3.22226 indicates that 3-Phenoxyphthalonitrile 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-Phenoxyphthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Phenoxyphthalonitrile?
The CAS number of 3-Phenoxyphthalonitrile is 77474-62-5.
What is the molecular formula of 3-Phenoxyphthalonitrile?
The molecular formula of 3-Phenoxyphthalonitrile is C14H8N2O.
What is the molecular weight of 3-Phenoxyphthalonitrile?
The molecular weight of 3-Phenoxyphthalonitrile is 220.06 g/mol.
Where can I buy 3-Phenoxyphthalonitrile?
You can request a quote for 3-Phenoxyphthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenoxyphthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenoxyphthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.