![2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile structure](/static/products/1367/13670-86-5.webp)
2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile
TL;DR: 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile (CAS 13670-86-5) 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.
2-[2-(4-methoxyphenyl)-2-oxoethyl]benzonitrile
Also Known As: 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzonitrile, 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]benzonitrile, 2-<2-Oxo-2-(4-methoxy-phenyl)-aethyl>-benzoenitril
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 13670-86-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C#N |
| InChIKey | CRGZWLQPHZYWGF-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile (CAS 13670-86-5), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzonitrile.
Chemical Property Profile of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile
Property Insights of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Methoxyphenyl)-2-oxoethyl]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 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile?
The CAS number of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile is 13670-86-5.
What is the molecular formula of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile?
The molecular formula of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile is C16H13NO2.
What is the molecular weight of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile?
The molecular weight of 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile is 251.09 g/mol.
Where can I buy 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile?
You can request a quote for 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Methoxyphenyl)-2-oxoethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.