5-Chloro-3-tert-butyl-2'-nitrososalicylanilide
TL;DR: 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide (CAS 21889-00-9) is a chemical compound with molecular formula C17H17ClN2O3 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-chloro-2-hydroxy-N-(2-nitrosophenyl)benzamide
Also Known As: 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide, Sid 3735579, 3-tert-butyl-5-chloro-2-hydroxy-N-(2-nitrosophenyl)benzamide, Benzamide, 5-chloro-3-(1,1-dimethylethyl)-2-hydroxy-N-(2-nitrosophenyl)-, Benzamide,5-chloro-3-(1,1-dimethylethyl)-2-hydroxy-N-(2-nitrosophenyl)-
| Molecular Formula | C17H17ClN2O3 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 4.9933 |
| Topological Polar Surface Area | 78.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.09277 |
| Heavy Atoms | 23 |
| Complexity | 766.9192 |
Chemical Identifiers
| CAS Number | 21889-00-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(=O)NC2=CC=CC=C2N=O)Cl |
Product Overview
5-Chloro-3-tert-butyl-2'-nitrososalicylanilide (CAS 21889-00-9), with molecular formula C17H17ClN2O3 and molecular weight 332.09 g/mol. IUPAC: 3-tert-butyl-5-chloro-2-hydroxy-N-(2-nitrosophenyl)benzamide.
Chemical Property Profile of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide
Property Insights of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide
The XLogP value of 4.9933 indicates that 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide. Following Lipinski's Rule of Five, 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide has 2 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 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide?
The CAS number of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide is 21889-00-9.
What is the molecular formula of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide?
The molecular formula of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide is C17H17ClN2O3.
What is the molecular weight of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide?
The molecular weight of 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide is 332.09 g/mol.
Where can I buy 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide?
You can request a quote for 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-tert-butyl-2'-nitrososalicylanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.