3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol
TL;DR: 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol (CAS 76302-70-0) is a chemical compound with molecular formula C13H19N3O5 and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol
Also Known As: 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol, Benzenemethanol, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-, {6-methyl-2,4-dinitro-3-[(pentan-3-yl)amino]phenyl}methanol, [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol, 3-[(1-Ethylpropyl)amino]-6-methyl-2,4-dinitrobenzyl alcohol
| Molecular Formula | C13H19N3O5 |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.13248 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 76302-70-0 |
|---|---|
| SMILES | CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])CO)C)[N+](=O)[O-] |
| InChIKey | PWAQEHCXAVLWPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol (CAS 76302-70-0), with molecular formula C13H19N3O5 and molecular weight 297.13 g/mol. IUPAC: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methanol.
Chemical Property Profile of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol
Property Insights of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol
The XLogP value of 3.9 indicates that 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol. Following Lipinski's Rule of Five, 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol 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 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol?
The CAS number of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol is 76302-70-0.
What is the molecular formula of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol?
The molecular formula of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol is C13H19N3O5.
What is the molecular weight of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol?
The molecular weight of 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol is 297.13 g/mol.
Where can I buy 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol?
You can request a quote for 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-((1-Ethylpropyl)amino)-6-methyl-2,4-dinitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.