Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-
TL;DR: Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- (CAS 52129-71-2) is a chemical compound with molecular formula C14H19N3O5 and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(dipropylamino)-3,5-dinitrophenyl]ethanone
Also Known As: Buban 37, Bulab, 3',5'-Dinitro-4'-(di-n-propylamino)acetophenone, 4'-(Dipropylamino)-3',5'-dinitroacetophenone, Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-
| Molecular Formula | C14H19N3O5 |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.13248 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 52129-71-2 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)C)[N+](=O)[O-] |
| InChIKey | VAKVTKYOQPQPJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- (CAS 52129-71-2), with molecular formula C14H19N3O5 and molecular weight 309.13 g/mol. IUPAC: 1-[4-(dipropylamino)-3,5-dinitrophenyl]ethanone.
Chemical Property Profile of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-
Property Insights of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-
The XLogP value of 4.1 indicates that Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- has 0 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 Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-?
The CAS number of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- is 52129-71-2.
What is the molecular formula of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-?
The molecular formula of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- is C14H19N3O5.
What is the molecular weight of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-?
The molecular weight of Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- is 309.13 g/mol.
Where can I buy Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-?
You can request a quote for Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.