4-chloro-N,N-diethyl-2-nitroaniline
TL;DR: 4-chloro-N,N-diethyl-2-nitroaniline (CAS 86309-90-2) is a chemical compound with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-diethyl-2-nitroaniline
Also Known As: 4-chloro-N,N-diethyl-2-nitroaniline, LCSTZXUBWSUNSH-UHFFFAOYSA-, 2-(Diethylamino)-5-chloro-1-nitrobenzene, 4-Chloro-N,N-diethyl-2-nitroaniline =96%, 4-CHLRO-NN-DIETHL-2-NTROANILINE 96 250MG
| Molecular Formula | C10H13ClN2O2 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.0944 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.06656 |
| Heavy Atoms | 15 |
| Complexity | 364.44006 |
Chemical Identifiers
| CAS Number | 86309-90-2 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N,N-diethyl-2-nitroaniline (CAS 86309-90-2), with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol. IUPAC: 4-chloro-N,N-diethyl-2-nitroaniline.
Chemical Property Profile of 4-chloro-N,N-diethyl-2-nitroaniline
Property Insights of 4-chloro-N,N-diethyl-2-nitroaniline
The XLogP value of 3.0944 indicates that 4-chloro-N,N-diethyl-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 4-chloro-N,N-diethyl-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N,N-diethyl-2-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 4-chloro-N,N-diethyl-2-nitroaniline?
The CAS number of 4-chloro-N,N-diethyl-2-nitroaniline is 86309-90-2.
What is the molecular formula of 4-chloro-N,N-diethyl-2-nitroaniline?
The molecular formula of 4-chloro-N,N-diethyl-2-nitroaniline is C10H13ClN2O2.
What is the molecular weight of 4-chloro-N,N-diethyl-2-nitroaniline?
The molecular weight of 4-chloro-N,N-diethyl-2-nitroaniline is 228.07 g/mol.
Where can I buy 4-chloro-N,N-diethyl-2-nitroaniline?
You can request a quote for 4-chloro-N,N-diethyl-2-nitroaniline 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,N-diethyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N,N-diethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.