N-(sec-butyl)-4-methyl-2,6-dinitroaniline
TL;DR: N-(sec-butyl)-4-methyl-2,6-dinitroaniline (CAS 866157-52-0) is a chemical compound with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-4-methyl-2,6-dinitroaniline
Also Known As: N-(sec-butyl)-4-methyl-2,6-dinitroaniline, N-(butan-2-yl)-4-methyl-2,6-dinitroaniline, N-butan-2-yl-4-methyl-2,6-dinitroaniline, 4-methyl-2,6-dinitro-N-sec-butyl-aniline, 4-Methyl-N-(1-methylpropyl)-2,6-dinitrobenzenamine
| Molecular Formula | C11H15N3O4 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.02182 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.10626 |
| Heavy Atoms | 18 |
| Complexity | 452.1718 |
Chemical Identifiers
| CAS Number | 866157-52-0 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-] |
Product Overview
N-(sec-butyl)-4-methyl-2,6-dinitroaniline (CAS 866157-52-0), with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol. IUPAC: N-butan-2-yl-4-methyl-2,6-dinitroaniline.
Chemical Property Profile of N-(sec-butyl)-4-methyl-2,6-dinitroaniline
Property Insights of N-(sec-butyl)-4-methyl-2,6-dinitroaniline
The XLogP value of 3.02182 indicates that N-(sec-butyl)-4-methyl-2,6-dinitroaniline 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 N-(sec-butyl)-4-methyl-2,6-dinitroaniline. Following Lipinski's Rule of Five, N-(sec-butyl)-4-methyl-2,6-dinitroaniline 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 N-(sec-butyl)-4-methyl-2,6-dinitroaniline?
The CAS number of N-(sec-butyl)-4-methyl-2,6-dinitroaniline is 866157-52-0.
What is the molecular formula of N-(sec-butyl)-4-methyl-2,6-dinitroaniline?
The molecular formula of N-(sec-butyl)-4-methyl-2,6-dinitroaniline is C11H15N3O4.
What is the molecular weight of N-(sec-butyl)-4-methyl-2,6-dinitroaniline?
The molecular weight of N-(sec-butyl)-4-methyl-2,6-dinitroaniline is 253.11 g/mol.
Where can I buy N-(sec-butyl)-4-methyl-2,6-dinitroaniline?
You can request a quote for N-(sec-butyl)-4-methyl-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(sec-butyl)-4-methyl-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(sec-butyl)-4-methyl-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.