2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
TL;DR: 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile (CAS 7702-82-1) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
Also Known As: 2-(4-methoxyphenyl)-2-(4-nitrophenyl)acetonitrile, (4-Methoxyphenyl)(4-nitrophenyl)acetonitrile, (4-Nitrophenyl)(4-methoxyphenyl)acetonitrile
| Molecular Formula | C15H12N2O3 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08478 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 7702-82-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OMSWKLSTNUQNGN-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile (CAS 7702-82-1), with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-(4-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
Property Insights of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
The XLogP value of 3.1 indicates that 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile?
The CAS number of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile is 7702-82-1.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile?
The molecular formula of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile is C15H12N2O3.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile?
The molecular weight of 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile is 268.08 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile?
You can request a quote for 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.