N-Nitrosodiclofenac
TL;DR: N-Nitrosodiclofenac (CAS 66505-80-4) is a chemical compound with molecular formula C14H10Cl2N2O3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,6-dichloro-N-nitrosoanilino)phenyl]acetic acid
Also Known As: N-Nitrosodiclofenac, N-nitroso-diclofenac, N-Nitroso Diclofenac, Diclofenac Impurity 1, Diclofenac Impurity 59
| Molecular Formula | C14H10Cl2N2O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 4.44 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.00684 |
| Heavy Atoms | 21 |
| Complexity | 671.4194 |
Chemical Identifiers
| CAS Number | 66505-80-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)N(C2=C(C=CC=C2Cl)Cl)N=O |
Product Overview
N-Nitrosodiclofenac (CAS 66505-80-4), with molecular formula C14H10Cl2N2O3 and molecular weight 324.01 g/mol. IUPAC: 2-[2-(2,6-dichloro-N-nitrosoanilino)phenyl]acetic acid.
Chemical Property Profile of N-Nitrosodiclofenac
Property Insights of N-Nitrosodiclofenac
The XLogP value of 4.44 indicates that N-Nitrosodiclofenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosodiclofenac. Following Lipinski's Rule of Five, N-Nitrosodiclofenac has 1 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 N-Nitrosodiclofenac?
The CAS number of N-Nitrosodiclofenac is 66505-80-4.
What is the molecular formula of N-Nitrosodiclofenac?
The molecular formula of N-Nitrosodiclofenac is C14H10Cl2N2O3.
What is the molecular weight of N-Nitrosodiclofenac?
The molecular weight of N-Nitrosodiclofenac is 324.01 g/mol.
Where can I buy N-Nitrosodiclofenac?
You can request a quote for N-Nitrosodiclofenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosodiclofenac?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosodiclofenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.