![4-[2-(3-Methoxyphenyl)acetyl]benzonitrile structure](/static/products/4655/465514-67-4.webp)
4-[2-(3-Methoxyphenyl)acetyl]benzonitrile
TL;DR: 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile (CAS 465514-67-4) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-methoxyphenyl)acetyl]benzonitrile
Also Known As: 4-[2-(3-methoxyphenyl)acetyl]benzonitrile, 4-(2-(3-Methoxyphenyl)acetyl)benzonitrile, 3-aminopropyldimethylethoxysilane, 4'-CYANO-2-(3-METHOXYPHENYL)ACETOPHENONE, 4-[2-(3-methoxyphenyl)-1-oxoethyl]benzonitrile
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.99228 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 623.9423 |
Chemical Identifiers
| CAS Number | 465514-67-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CC(=O)C2=CC=C(C=C2)C#N |
Product Overview
4-[2-(3-Methoxyphenyl)acetyl]benzonitrile (CAS 465514-67-4), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 4-[2-(3-methoxyphenyl)acetyl]benzonitrile.
Chemical Property Profile of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile
Property Insights of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile
The XLogP value of 2.99228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile 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 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile?
The CAS number of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile is 465514-67-4.
What is the molecular formula of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile?
The molecular formula of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile is C16H13NO2.
What is the molecular weight of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile?
The molecular weight of 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile is 251.09 g/mol.
Where can I buy 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile?
You can request a quote for 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(3-Methoxyphenyl)acetyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.