2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-
TL;DR: 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- (CAS 74401-80-2) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethyl-1-(4-nitrobenzoyl)pyridine-2,4-dione
Also Known As: 1-(4-Nitrobenzoyl)-3,3-diethyl-2,4-pyridinedione, 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-, 3,3-diethyl-1-(4-nitrobenzoyl)pyridine-2,4-dione, 3,3-Diethyl-1-(4-nitrobenzoyl)pyridine-2,4(1H,3H)-dione, RefChem:245265
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.4664 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 701.6857 |
Chemical Identifiers
| CAS Number | 74401-80-2 |
|---|---|
| SMILES | CCC1(C(=O)C=CN(C1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC |
Product Overview
2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- (CAS 74401-80-2), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: 3,3-diethyl-1-(4-nitrobenzoyl)pyridine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-
Property Insights of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-
The XLogP value of 2.4664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- 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 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-?
The CAS number of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- is 74401-80-2.
What is the molecular formula of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-?
The molecular formula of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- is C16H16N2O5.
What is the molecular weight of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-?
The molecular weight of 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- is 316.11 g/mol.
Where can I buy 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-?
You can request a quote for 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.