n,n-Bis(2-chloroethyl)-4-nitroaniline
TL;DR: n,n-Bis(2-chloroethyl)-4-nitroaniline (CAS 6341-36-2) is a chemical compound with molecular formula C10H12Cl2N2O2 and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-nitroaniline
Also Known As: n,n-bis(2-chloroethyl)-4-nitroaniline, 1-cyclohexyltetradecylcyclohexane, N,N-bis(2-chloroethyl)-4-nitro-aniline, 4-Nitro-[N,N-bis(2-chloroethyl)]aniline
| Molecular Formula | C10H12Cl2N2O2 |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0276 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 6341-36-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)[N+](=O)[O-] |
| InChIKey | UMNFMWKZDRHCFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n,n-Bis(2-chloroethyl)-4-nitroaniline (CAS 6341-36-2), with molecular formula C10H12Cl2N2O2 and molecular weight 262.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-nitroaniline.
Chemical Property Profile of n,n-Bis(2-chloroethyl)-4-nitroaniline
Property Insights of n,n-Bis(2-chloroethyl)-4-nitroaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n-Bis(2-chloroethyl)-4-nitroaniline. With a topological polar surface area (TPSA) of 49.1 Ų, n,n-Bis(2-chloroethyl)-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n-Bis(2-chloroethyl)-4-nitroaniline has 0 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,n-Bis(2-chloroethyl)-4-nitroaniline?
The CAS number of n,n-Bis(2-chloroethyl)-4-nitroaniline is 6341-36-2.
What is the molecular formula of n,n-Bis(2-chloroethyl)-4-nitroaniline?
The molecular formula of n,n-Bis(2-chloroethyl)-4-nitroaniline is C10H12Cl2N2O2.
What is the molecular weight of n,n-Bis(2-chloroethyl)-4-nitroaniline?
The molecular weight of n,n-Bis(2-chloroethyl)-4-nitroaniline is 262.03 g/mol.
Where can I buy n,n-Bis(2-chloroethyl)-4-nitroaniline?
You can request a quote for n,n-Bis(2-chloroethyl)-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n-Bis(2-chloroethyl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-Bis(2-chloroethyl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.