4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
TL;DR: 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline (CAS 853573-42-9) is a chemical compound with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
Also Known As: 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline, 4-chloro-2-nitro-N-[2-(pyridin-2-yl)ethyl]aniline
| Molecular Formula | C13H12ClN3O2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 3.2978 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.0618 |
| Heavy Atoms | 19 |
| Complexity | 575.35596 |
Chemical Identifiers
| CAS Number | 853573-42-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline (CAS 853573-42-9), with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol. IUPAC: 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline.
Chemical Property Profile of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
Property Insights of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
The XLogP value of 3.2978 indicates that 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline. Following Lipinski's Rule of Five, 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)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 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
The CAS number of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline is 853573-42-9.
What is the molecular formula of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
The molecular formula of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline is C13H12ClN3O2.
What is the molecular weight of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
The molecular weight of 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline is 277.06 g/mol.
Where can I buy 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
You can request a quote for 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-nitro-N-(2-pyridin-2-ylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.