2-Cyanophenyl acetate
TL;DR: 2-Cyanophenyl acetate (CAS 5715-02-6) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyanophenyl) acetate
Also Known As: 2-Acetoxybenzonitrile, 2-Cyanophenyl acetate, (2-cyanophenyl) acetate, o-acetoxybenzonitrile, Acetylsalicylonitrile
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5715-02-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C#N |
| InChIKey | XXLKCUTUGWSJJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanophenyl acetate (CAS 5715-02-6), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: (2-cyanophenyl) acetate.
Chemical Property Profile of 2-Cyanophenyl acetate
Property Insights of 2-Cyanophenyl acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanophenyl acetate. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyanophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanophenyl acetate 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 2-Cyanophenyl acetate?
The CAS number of 2-Cyanophenyl acetate is 5715-02-6.
What is the molecular formula of 2-Cyanophenyl acetate?
The molecular formula of 2-Cyanophenyl acetate is C9H7NO2.
What is the molecular weight of 2-Cyanophenyl acetate?
The molecular weight of 2-Cyanophenyl acetate is 161.05 g/mol.
Where can I buy 2-Cyanophenyl acetate?
You can request a quote for 2-Cyanophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.