Coumarin, 4-diethylamino-3-nitro-
TL;DR: Coumarin, 4-diethylamino-3-nitro- (CAS 50527-31-6) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(diethylamino)-3-nitrochromen-2-one
Also Known As: 4-Diethylamino-3-nitrocoumarin, 4-(diethylamino)-3-nitrochromen-2-one, COUMARIN, 4-DIETHYLAMINO-3-NITRO-, 4-(diethylamino)-3-nitro-2H-chromen-2-one, 3-nitro-4-diethylaminocoumarin
Technical Specifications
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.09537 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.09537 Da |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
| Solubility | >39.3 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | ZFKKSGSQPHNBNR-UHFFFAOYSA-N |
Chemical Property Profile of Coumarin, 4-diethylamino-3-nitro-
Property Insights of Coumarin, 4-diethylamino-3-nitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 4-diethylamino-3-nitro-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 4-diethylamino-3-nitro-. Following Lipinski's Rule of Five, Coumarin, 4-diethylamino-3-nitro- 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
What is the CAS number of Coumarin, 4-diethylamino-3-nitro-?
The CAS number of Coumarin, 4-diethylamino-3-nitro- is 50527-31-6.
What is the molecular formula of Coumarin, 4-diethylamino-3-nitro-?
The molecular formula of Coumarin, 4-diethylamino-3-nitro- is C13H14N2O4.
What is the molecular weight of Coumarin, 4-diethylamino-3-nitro-?
The molecular weight of Coumarin, 4-diethylamino-3-nitro- is 262.09537 g/mol.
Where can I buy Coumarin, 4-diethylamino-3-nitro-?
You can request a quote for Coumarin, 4-diethylamino-3-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coumarin, 4-diethylamino-3-nitro-?
Yes, CoreyChem provides custom synthesis services for Coumarin, 4-diethylamino-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.