Coumarin, 4-morpholino-3-nitro-
TL;DR: Coumarin, 4-morpholino-3-nitro- (CAS 50527-34-9) is a chemical compound with molecular formula C13H12N2O5 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-yl-3-nitrochromen-2-one
Also Known As: 4-Morpholino-3-nitrocoumarin, 4-(morpholin-4-yl)-3-nitro-2H-chromen-2-one, 4-Morpholino-3-nitro-2H-chromen-2-one, 4-morpholin-4-yl-3-nitrochromen-2-one, COUMARIN, 4-MORPHOLINO-3-NITRO-
| Molecular Formula | C13H12N2O5 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.07462 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
| Solubility | >41.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 50527-34-9 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | PYOMMFZCTIFHMA-UHFFFAOYSA-N |
Product Overview
Coumarin, 4-morpholino-3-nitro- (CAS 50527-34-9), with molecular formula C13H12N2O5 and molecular weight 276.07 g/mol. IUPAC: 4-morpholin-4-yl-3-nitrochromen-2-one.
Chemical Property Profile of Coumarin, 4-morpholino-3-nitro-
Property Insights of Coumarin, 4-morpholino-3-nitro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 4-morpholino-3-nitro-. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 4-morpholino-3-nitro-. Following Lipinski's Rule of Five, Coumarin, 4-morpholino-3-nitro- 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 Coumarin, 4-morpholino-3-nitro-?
The CAS number of Coumarin, 4-morpholino-3-nitro- is 50527-34-9.
What is the molecular formula of Coumarin, 4-morpholino-3-nitro-?
The molecular formula of Coumarin, 4-morpholino-3-nitro- is C13H12N2O5.
What is the molecular weight of Coumarin, 4-morpholino-3-nitro-?
The molecular weight of Coumarin, 4-morpholino-3-nitro- is 276.07 g/mol.
Where can I buy Coumarin, 4-morpholino-3-nitro-?
You can request a quote for Coumarin, 4-morpholino-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4-morpholino-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4-morpholino-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.