2-Chloro-4-nitro-N,N-dipropylaniline
TL;DR: 2-Chloro-4-nitro-N,N-dipropylaniline (CAS 6216-91-7) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-nitro-N,N-dipropylaniline
Also Known As: 2-Chloro-4-nitro-N,N-dipropylaniline, 2-Chloro-4-nitro-NN-dipropylaniline, cis-4-tert-Butylcyclohexanol, 4-Nitro-2-chloro-N,N-di-n-propyl aniline, Benzenamine,2-chloro-4-nitro-N,N-dipropyl-
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 6216-91-7 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | OYJJPFCGGNTTTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-nitro-N,N-dipropylaniline (CAS 6216-91-7), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: 2-chloro-4-nitro-N,N-dipropylaniline.
Chemical Property Profile of 2-Chloro-4-nitro-N,N-dipropylaniline
Property Insights of 2-Chloro-4-nitro-N,N-dipropylaniline
The XLogP value of 4.3 indicates that 2-Chloro-4-nitro-N,N-dipropylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 2-Chloro-4-nitro-N,N-dipropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-nitro-N,N-dipropylaniline 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 2-Chloro-4-nitro-N,N-dipropylaniline?
The CAS number of 2-Chloro-4-nitro-N,N-dipropylaniline is 6216-91-7.
What is the molecular formula of 2-Chloro-4-nitro-N,N-dipropylaniline?
The molecular formula of 2-Chloro-4-nitro-N,N-dipropylaniline is C12H17ClN2O2.
What is the molecular weight of 2-Chloro-4-nitro-N,N-dipropylaniline?
The molecular weight of 2-Chloro-4-nitro-N,N-dipropylaniline is 256.10 g/mol.
Where can I buy 2-Chloro-4-nitro-N,N-dipropylaniline?
You can request a quote for 2-Chloro-4-nitro-N,N-dipropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-nitro-N,N-dipropylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-nitro-N,N-dipropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.