2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile
TL;DR: 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile (CAS 56577-68-5) is a chemical compound with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-(4-nitrophenyl)acetonitrile
Also Known As: 2-(4-chlorophenyl)-2-(4-nitrophenyl)acetonitrile, N4-Benzoylcytidin-5'-phosphat, (4-Chlorophenyl)(4-nitrophenyl)acetonitrile, (4-Nitrophenyl)(4-chlorophenyl)acetonitrile, J1.821.332J
| Molecular Formula | C14H9ClN2O2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.03525 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 56577-68-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | ITIBRNGRTMJAEN-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile (CAS 56577-68-5), with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol. IUPAC: 2-(4-chlorophenyl)-2-(4-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile
Property Insights of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile
The XLogP value of 3.7 indicates that 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-(4-nitrophenyl)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-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile?
The CAS number of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile is 56577-68-5.
What is the molecular formula of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile is C14H9ClN2O2.
What is the molecular weight of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile is 272.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-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-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.