Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride
TL;DR: Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride (CAS 20809-24-9) is a chemical compound with molecular formula C18H29ClN2O4 and molecular weight 372.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butanoyl-6-nitrophenoxy)ethyl-di(propan-2-yl)azanium chloride
Also Known As: Butyrophenone, 6'-(2-(diisopropylamino)ethoxy)-5'-nitro-, hydrochloride, 2-Butyryl-6-nitro-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochloride, BUTYROPHENONE, 2'-(2-(DIISOPROPYLAMINO)ETHOXY)-3'-NITRO-, HYDROCHLORIDE, 2-(2-butanoyl-6-nitrophenoxy)ethyl-di(propan-2-yl)azanium chloride, RefChem:331366
| Molecular Formula | C18H29ClN2O4 |
|---|---|
| Molecular Weight | 372.18 g/mol |
| LogP | -0.34 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 372.18158 |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 20809-24-9 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OCC[NH+](C(C)C)C(C)C.[Cl-] |
| InChIKey | XVYNTGHAPSKZNU-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride (CAS 20809-24-9), with molecular formula C18H29ClN2O4 and molecular weight 372.18 g/mol. IUPAC: 2-(2-butanoyl-6-nitrophenoxy)ethyl-di(propan-2-yl)azanium chloride.
Chemical Property Profile of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride
Property Insights of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride
The XLogP value of -0.34 indicates that Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride. Following Lipinski's Rule of Five, Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride 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 Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride?
The CAS number of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride is 20809-24-9.
What is the molecular formula of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride?
The molecular formula of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride is C18H29ClN2O4.
What is the molecular weight of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride?
The molecular weight of Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride is 372.18 g/mol.
Where can I buy Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride?
You can request a quote for Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 2'-(2-(diisopropylamino)ethoxy)-3'-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.