5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline
TL;DR: 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline (CAS 725705-48-6) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline
Also Known As: 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline, N-(2,2-dimethylpropyl)-5-chloro-2-nitroaniline, J3.335.029E
| Molecular Formula | C11H15ClN2O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 3.7062 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0822 |
| Heavy Atoms | 16 |
| Complexity | 399.4613 |
Chemical Identifiers
| CAS Number | 725705-48-6 |
|---|---|
| SMILES | CC(C)(C)CNC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
Product Overview
5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline (CAS 725705-48-6), with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol. IUPAC: 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline.
Chemical Property Profile of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline
Property Insights of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline
The XLogP value of 3.7062 indicates that 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline 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 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline?
The CAS number of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline is 725705-48-6.
What is the molecular formula of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline?
The molecular formula of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline is C11H15ClN2O2.
What is the molecular weight of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline?
The molecular weight of 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline is 242.08 g/mol.
Where can I buy 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline?
You can request a quote for 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(2,2-dimethylpropyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.