1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
TL;DR: 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one (CAS 1005653-90-6) is a chemical compound with molecular formula C13H20N4O4 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
Also Known As: 1-(2,6-dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one, 1-(2,6-dimethylmorpholin-4-yl)-3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propan-1-one, 1-(2,6-dimethylmorpholin-4-yl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propan-1-one
| Molecular Formula | C13H20N4O4 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 1.12562 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.14847 |
| Heavy Atoms | 21 |
| Complexity | 532.2736 |
Chemical Identifiers
| CAS Number | 1005653-90-6 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)CCN2C=C(C(=N2)C)[N+](=O)[O-] |
Product Overview
1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one (CAS 1005653-90-6), with molecular formula C13H20N4O4 and molecular weight 296.15 g/mol. IUPAC: 1-(2,6-dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one.
Chemical Property Profile of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
Property Insights of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
The XLogP value of 1.12562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one. Following Lipinski's Rule of Five, 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one has 0 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 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one?
The CAS number of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one is 1005653-90-6.
What is the molecular formula of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one?
The molecular formula of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one is C13H20N4O4.
What is the molecular weight of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one?
The molecular weight of 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one is 296.15 g/mol.
Where can I buy 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one?
You can request a quote for 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dimethylmorpholin-4-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.