2-(5-Acetyl-2-methoxyphenyl)acetonitrile
TL;DR: 2-(5-Acetyl-2-methoxyphenyl)acetonitrile (CAS 403499-85-4) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-acetyl-2-methoxyphenyl)acetonitrile
Also Known As: 2-(5-acetyl-2-methoxyphenyl)acetonitrile, (5-acetyl-2-methoxyphenyl)acetonitrile, Benzeneacetonitrile,5-acetyl-2-methoxy-, Benzeneacetonitrile, 5-acetyl-2-methoxy- (9CI), Benzeneacetonitrile,5-acetyl-2-methoxy
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.96388 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 390.76428 |
Chemical Identifiers
| CAS Number | 403499-85-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CC#N |
Product Overview
2-(5-Acetyl-2-methoxyphenyl)acetonitrile (CAS 403499-85-4), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-(5-acetyl-2-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile
Property Insights of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile
The XLogP value of 1.96388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Acetyl-2-methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 2-(5-Acetyl-2-methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Acetyl-2-methoxyphenyl)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-(5-Acetyl-2-methoxyphenyl)acetonitrile?
The CAS number of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile is 403499-85-4.
What is the molecular formula of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile?
The molecular formula of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile is C11H11NO2.
What is the molecular weight of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile?
The molecular weight of 2-(5-Acetyl-2-methoxyphenyl)acetonitrile is 189.08 g/mol.
Where can I buy 2-(5-Acetyl-2-methoxyphenyl)acetonitrile?
You can request a quote for 2-(5-Acetyl-2-methoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Acetyl-2-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Acetyl-2-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.