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N-[(2-chlorophenyl)methyl]-3-nitroaniline
TL;DR: N-[(2-chlorophenyl)methyl]-3-nitroaniline (CAS 313374-34-4) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-3-nitroaniline
Also Known As: N-(2-chlorobenzyl)-3-nitroaniline, N-[(2-chlorophenyl)methyl]-3-nitroaniline, (2-chlorobenzyl)(3-nitrophenyl)amine, 2-Chloro-N-(3-nitrophenyl)benzenemethanamine
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.8603 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 572.4226 |
Chemical Identifiers
| CAS Number | 313374-34-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=CC(=CC=C2)[N+](=O)[O-])Cl |
Product Overview
N-[(2-chlorophenyl)methyl]-3-nitroaniline (CAS 313374-34-4), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-3-nitroaniline.
Chemical Property Profile of N-[(2-chlorophenyl)methyl]-3-nitroaniline
Property Insights of N-[(2-chlorophenyl)methyl]-3-nitroaniline
The XLogP value of 3.8603 indicates that N-[(2-chlorophenyl)methyl]-3-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, N-[(2-chlorophenyl)methyl]-3-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-chlorophenyl)methyl]-3-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 N-[(2-chlorophenyl)methyl]-3-nitroaniline?
The CAS number of N-[(2-chlorophenyl)methyl]-3-nitroaniline is 313374-34-4.
What is the molecular formula of N-[(2-chlorophenyl)methyl]-3-nitroaniline?
The molecular formula of N-[(2-chlorophenyl)methyl]-3-nitroaniline is C13H11ClN2O2.
What is the molecular weight of N-[(2-chlorophenyl)methyl]-3-nitroaniline?
The molecular weight of N-[(2-chlorophenyl)methyl]-3-nitroaniline is 262.05 g/mol.
Where can I buy N-[(2-chlorophenyl)methyl]-3-nitroaniline?
You can request a quote for N-[(2-chlorophenyl)methyl]-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-chlorophenyl)methyl]-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chlorophenyl)methyl]-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.