4-(3-Acetyl-phenoxy)-phthalonitrile
TL;DR: 4-(3-Acetyl-phenoxy)-phthalonitrile (CAS 313249-32-0) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-acetylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(3-Acetyl-phenoxy)-phthalonitrile, 4-(3-acetylphenoxy)phthalonitrile, 4-(3-acetylphenoxy)benzene-1,2-dicarbonitrile, BAS 00721808, AB01334672-02
| Molecular Formula | C16H10N2O2 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.07422 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 313249-32-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OC2=CC(=C(C=C2)C#N)C#N |
| InChIKey | DAHBINYLJQZZCA-UHFFFAOYSA-N |
Product Overview
4-(3-Acetyl-phenoxy)-phthalonitrile (CAS 313249-32-0), with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol. IUPAC: 4-(3-acetylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(3-Acetyl-phenoxy)-phthalonitrile
Property Insights of 4-(3-Acetyl-phenoxy)-phthalonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Acetyl-phenoxy)-phthalonitrile. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Acetyl-phenoxy)-phthalonitrile. Following Lipinski's Rule of Five, 4-(3-Acetyl-phenoxy)-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-(3-Acetyl-phenoxy)-phthalonitrile?
The CAS number of 4-(3-Acetyl-phenoxy)-phthalonitrile is 313249-32-0.
What is the molecular formula of 4-(3-Acetyl-phenoxy)-phthalonitrile?
The molecular formula of 4-(3-Acetyl-phenoxy)-phthalonitrile is C16H10N2O2.
What is the molecular weight of 4-(3-Acetyl-phenoxy)-phthalonitrile?
The molecular weight of 4-(3-Acetyl-phenoxy)-phthalonitrile is 262.07 g/mol.
Where can I buy 4-(3-Acetyl-phenoxy)-phthalonitrile?
You can request a quote for 4-(3-Acetyl-phenoxy)-phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Acetyl-phenoxy)-phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Acetyl-phenoxy)-phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.