(2-Formylphenoxy)acetonitrile
TL;DR: (2-Formylphenoxy)acetonitrile (CAS 125418-83-9) 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-(2-formylphenoxy)acetonitrile
Also Known As: (2-formylphenoxy)acetonitrile, 2-(2-formylphenoxy)acetonitrile, Acetonitrile, 2-(2-formylphenoxy)-, 2-Formylphenoxyacetonitrile, 2-(2-formylphenoxy)ethanenitrile
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.40148 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 314.54974 |
Chemical Identifiers
| CAS Number | 125418-83-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)OCC#N |
Product Overview
(2-Formylphenoxy)acetonitrile (CAS 125418-83-9), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-(2-formylphenoxy)acetonitrile.
Chemical Property Profile of (2-Formylphenoxy)acetonitrile
Property Insights of (2-Formylphenoxy)acetonitrile
The XLogP value of 1.40148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Formylphenoxy)acetonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, (2-Formylphenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Formylphenoxy)acetonitrile 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-Formylphenoxy)acetonitrile?
The CAS number of (2-Formylphenoxy)acetonitrile is 125418-83-9.
What is the molecular formula of (2-Formylphenoxy)acetonitrile?
The molecular formula of (2-Formylphenoxy)acetonitrile is C9H7NO2.
What is the molecular weight of (2-Formylphenoxy)acetonitrile?
The molecular weight of (2-Formylphenoxy)acetonitrile is 161.05 g/mol.
Where can I buy (2-Formylphenoxy)acetonitrile?
You can request a quote for (2-Formylphenoxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Formylphenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Formylphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.