1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-
TL;DR: 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- (CAS 88418-57-9) is a chemical compound with molecular formula C15H11NO6 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dioxopentan-3-yl)-3-nitronaphthalene-1,2-dione
Also Known As: 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-, 4-(2,4-dioxopentan-3-yl)-3-nitronaphthalene-1,2-dione, 4-(1-acetyl-2-oxopropyl)-3-nitro-1,2-naphthalenedione, AH-262/08373045, 4-(2,4-dioxopentan-3-yl)-3-nitro-naphthalene-1,2-dione
| Molecular Formula | C15H11NO6 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.234 |
| Topological Polar Surface Area | 111.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05862 |
| Heavy Atoms | 22 |
| Complexity | 759.9923 |
Chemical Identifiers
| CAS Number | 88418-57-9 |
|---|---|
| SMILES | CC(=O)C(C1=C(C(=O)C(=O)C2=CC=CC=C21)[N+](=O)[O-])C(=O)C |
Product Overview
1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- (CAS 88418-57-9), with molecular formula C15H11NO6 and molecular weight 301.06 g/mol. IUPAC: 4-(2,4-dioxopentan-3-yl)-3-nitronaphthalene-1,2-dione.
Chemical Property Profile of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-
Property Insights of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-
The XLogP value of 1.234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-. The TPSA of 111.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-. Following Lipinski's Rule of Five, 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-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 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-?
The CAS number of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- is 88418-57-9.
What is the molecular formula of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-?
The molecular formula of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- is C15H11NO6.
What is the molecular weight of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-?
The molecular weight of 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- is 301.06 g/mol.
Where can I buy 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-?
You can request a quote for 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.