5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
TL;DR: 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline (CAS 329922-48-7) is a chemical compound with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
Also Known As: 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline, BAS 00253760, (5-chloro-2-nitrophenyl)(2-phenoxyethyl)amine, (5-Chloro-2-nitro-phenyl)-(2-phenoxy-ethyl)-amine
| Molecular Formula | C14H13ClN2O3 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 3.7391 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.06146 |
| Heavy Atoms | 20 |
| Complexity | 590.22784 |
Chemical Identifiers
| CAS Number | 329922-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
Product Overview
5-chloro-2-nitro-N-(2-phenoxyethyl)aniline (CAS 329922-48-7), with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol. IUPAC: 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline.
Chemical Property Profile of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
Property Insights of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline
The XLogP value of 3.7391 indicates that 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline. Following Lipinski's Rule of Five, 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline has 1 hydrogen bond donor(s) and 4 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 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline?
The CAS number of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline is 329922-48-7.
What is the molecular formula of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline?
The molecular formula of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline is C14H13ClN2O3.
What is the molecular weight of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline?
The molecular weight of 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline is 292.06 g/mol.
Where can I buy 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline?
You can request a quote for 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-nitro-N-(2-phenoxyethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.