3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
TL;DR: 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline (CAS 501105-59-5) is a chemical compound with molecular formula C13H10ClN3O4 and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
Also Known As: 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline, (2,4-dinitrophenyl)(3-chloro-2-methylphenyl)amine, (3-chloro-2-methylphenyl)(2,4-dinitrophenyl)amine
| Molecular Formula | C13H10ClN3O4 |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 4.20842 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.03598 |
| Heavy Atoms | 21 |
| Complexity | 733.35144 |
Chemical Identifiers
| CAS Number | 501105-59-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline (CAS 501105-59-5), with molecular formula C13H10ClN3O4 and molecular weight 307.04 g/mol. IUPAC: 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline.
Chemical Property Profile of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
Property Insights of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
The XLogP value of 4.20842 indicates that 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline. Following Lipinski's Rule of Five, 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline has 1 hydrogen bond donor(s) and 5 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 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline?
The CAS number of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline is 501105-59-5.
What is the molecular formula of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline?
The molecular formula of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline is C13H10ClN3O4.
What is the molecular weight of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline?
The molecular weight of 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline is 307.04 g/mol.
Where can I buy 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline?
You can request a quote for 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.