4-(2,4-Dinitroanilino)-3-methylphenol
TL;DR: 4-(2,4-Dinitroanilino)-3-methylphenol (CAS 41669-69-6) is a chemical compound with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitroanilino)-3-methylphenol
Also Known As: 4-(2,4-dinitroanilino)-3-methylphenol, 4-[(2,4-dinitrophenyl)amino]-3-methylphenol, 2,4-dinitro-4'-hydroxy-2'-methyldiphenylamine, 4-[(2,4-dinitrophenyl)amino]-3-methyl-phenol
| Molecular Formula | C13H11N3O5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 3.26062 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0699 |
| Heavy Atoms | 21 |
| Complexity | 729.7418 |
Chemical Identifiers
| CAS Number | 41669-69-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(2,4-Dinitroanilino)-3-methylphenol (CAS 41669-69-6), with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol. IUPAC: 4-(2,4-dinitroanilino)-3-methylphenol.
Chemical Property Profile of 4-(2,4-Dinitroanilino)-3-methylphenol
Property Insights of 4-(2,4-Dinitroanilino)-3-methylphenol
The XLogP value of 3.26062 indicates that 4-(2,4-Dinitroanilino)-3-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-Dinitroanilino)-3-methylphenol. Following Lipinski's Rule of Five, 4-(2,4-Dinitroanilino)-3-methylphenol has 2 hydrogen bond donor(s) and 6 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-(2,4-Dinitroanilino)-3-methylphenol?
The CAS number of 4-(2,4-Dinitroanilino)-3-methylphenol is 41669-69-6.
What is the molecular formula of 4-(2,4-Dinitroanilino)-3-methylphenol?
The molecular formula of 4-(2,4-Dinitroanilino)-3-methylphenol is C13H11N3O5.
What is the molecular weight of 4-(2,4-Dinitroanilino)-3-methylphenol?
The molecular weight of 4-(2,4-Dinitroanilino)-3-methylphenol is 289.07 g/mol.
Where can I buy 4-(2,4-Dinitroanilino)-3-methylphenol?
You can request a quote for 4-(2,4-Dinitroanilino)-3-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dinitroanilino)-3-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dinitroanilino)-3-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.