3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one
TL;DR: 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one (CAS 100616-44-2) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-morpholin-4-yl-1-(4-nitrophenyl)propan-1-one
Also Known As: N-<2-(4-Nitro-benzoyl)-ethyl>-morpholin, 3-morpholin-4-yl-1-(4-nitrophenyl)propan-1-one, 3-morpholin-4-yl-1-(4-nitro-phenyl)-propan-1-one
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 100616-44-2 |
|---|---|
| SMILES | C1COCCN1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MXKMKEKSGBGJGK-UHFFFAOYSA-N |
Product Overview
3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one (CAS 100616-44-2), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: 3-morpholin-4-yl-1-(4-nitrophenyl)propan-1-one.
Chemical Property Profile of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one
Property Insights of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one. Following Lipinski's Rule of Five, 3-Morpholin-4-yl-1-(4-nitrophenyl)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 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one?
The CAS number of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one is 100616-44-2.
What is the molecular formula of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one?
The molecular formula of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one is C13H16N2O4.
What is the molecular weight of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one?
The molecular weight of 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one is 264.11 g/mol.
Where can I buy 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one?
You can request a quote for 3-Morpholin-4-yl-1-(4-nitrophenyl)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 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Morpholin-4-yl-1-(4-nitrophenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.