Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-
TL;DR: Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- (CAS 132591-94-7) is a chemical compound with molecular formula C13H17N3O5 and molecular weight 295.12 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)benzaldehyde
Also Known As: Isobutyraldehyd-dipropylacetal, 6-methyl-2,4-dinitro-3-(pentan-3-ylamino)benzaldehyde, Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-, 6-Methyl-2,4-dinitro-3-[(pentan-3-yl)amino]benzaldehyde
| Molecular Formula | C13H17N3O5 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.11682 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 132591-94-7 |
|---|---|
| SMILES | CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C=O)C)[N+](=O)[O-] |
| InChIKey | YTJFNEYPSUMMAK-UHFFFAOYSA-N |
Product Overview
Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- (CAS 132591-94-7), with molecular formula C13H17N3O5 and molecular weight 295.12 g/mol. IUPAC: 6-methyl-2,4-dinitro-3-(pentan-3-ylamino)benzaldehyde.
Chemical Property Profile of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-
Property Insights of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-
The XLogP value of 3.8 indicates that Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-. Following Lipinski's Rule of Five, Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- has 1 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 Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-?
The CAS number of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- is 132591-94-7.
What is the molecular formula of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-?
The molecular formula of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- is C13H17N3O5.
What is the molecular weight of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-?
The molecular weight of Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- is 295.12 g/mol.
Where can I buy Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-?
You can request a quote for Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 3-((1-ethylpropyl)amino)-6-methyl-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.