Nitrofenac
TL;DR: Nitrofenac (CAS 154766-10-6) is a chemical compound with molecular formula C18H18Cl2N2O5 and molecular weight 412.05927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Also Known As: Nitrofenac, 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate, 4-(Nitrooxy)butyl [2-(2,6-dichloroanilino)phenyl]acetate, 4-(Nitrooxy)butyl 2-((2,6-dichlorophenyl)amino)benzeneacetate, 2-((2,6-DICHLOROPHENYL) AMINO)BENZENEACETATE-4-HYDROXYBUTYLNITRIC ESTER
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H18Cl2N2O5 |
| Molecular Weight | 412.05927 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 412.05927 Da |
| Heavy Atoms | 27 |
| Complexity | 467.0 |
| SMILES | C1=CC=C(C(=C1)CC(=O)OCCCCO[N+](=O)[O-])NC2=C(C=CC=C2Cl)Cl |
| InChIKey | CQVHWLHWUZRTQC-UHFFFAOYSA-N |
Chemical Property Profile of Nitrofenac
Property Insights of Nitrofenac
The XLogP value of 5.7 indicates that Nitrofenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrofenac. Following Lipinski's Rule of Five, Nitrofenac has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nitrofenac?
The CAS number of Nitrofenac is 154766-10-6.
What is the molecular formula of Nitrofenac?
The molecular formula of Nitrofenac is C18H18Cl2N2O5.
What is the molecular weight of Nitrofenac?
The molecular weight of Nitrofenac is 412.05927 g/mol.
Where can I buy Nitrofenac?
You can request a quote for Nitrofenac directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitrofenac?
Yes, CoreyChem provides custom synthesis services for Nitrofenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.