4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine
TL;DR: 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine (CAS 330177-34-9) is a chemical compound with molecular formula C13H10Cl2N2O2 and molecular weight 296.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[(4-chlorophenyl)methyl]-2-nitroaniline
Also Known As: 5-chloro-N-[(4-chlorophenyl)methyl]-2-nitroaniline, 5-chloro-N-(4-chlorobenzyl)-2-nitroaniline, (4-chlorobenzyl)(5-chloro-2-nitrophenyl)amine, 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine
| Molecular Formula | C13H10Cl2N2O2 |
|---|---|
| Molecular Weight | 296.01 g/mol |
| LogP | 4.5137 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.01193 |
| Heavy Atoms | 19 |
| Complexity | 600.0922 |
Chemical Identifiers
| CAS Number | 330177-34-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=C(C=CC(=C2)Cl)[N+](=O)[O-])Cl |
Product Overview
4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine (CAS 330177-34-9), with molecular formula C13H10Cl2N2O2 and molecular weight 296.01 g/mol. IUPAC: 5-chloro-N-[(4-chlorophenyl)methyl]-2-nitroaniline.
Chemical Property Profile of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine
Property Insights of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine
The XLogP value of 4.5137 indicates that 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine 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 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine?
The CAS number of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine is 330177-34-9.
What is the molecular formula of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine?
The molecular formula of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine is C13H10Cl2N2O2.
What is the molecular weight of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine?
The molecular weight of 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine is 296.01 g/mol.
Where can I buy 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine?
You can request a quote for 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(5-chloro-2-nitrophenyl)benzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.