3-(2-Nitrobenzylidene)-2,4-pentanedione
TL;DR: 3-(2-Nitrobenzylidene)-2,4-pentanedione (CAS 27669-22-3) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
Also Known As: 2-nitrobenzylidene acetylacetone, 3-(2-Nitrobenzylidene)-2,4-pentanedione, 3-(2-nitrophenyl)methylene-2,4-pentanedione, 3-[(2-nitrophenyl)methylidene]pentane-2,4-dione, 3-(2-Nitrobenzylidene)pentane-2,4-dione
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.1562 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 500.99185 |
Chemical Identifiers
| CAS Number | 27669-22-3 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)C |
Product Overview
3-(2-Nitrobenzylidene)-2,4-pentanedione (CAS 27669-22-3), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 3-[(2-nitrophenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-(2-Nitrobenzylidene)-2,4-pentanedione
Property Insights of 3-(2-Nitrobenzylidene)-2,4-pentanedione
The XLogP value of 2.1562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitrobenzylidene)-2,4-pentanedione. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitrobenzylidene)-2,4-pentanedione. Following Lipinski's Rule of Five, 3-(2-Nitrobenzylidene)-2,4-pentanedione has 0 hydrogen bond donor(s) and 4 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-(2-Nitrobenzylidene)-2,4-pentanedione?
The CAS number of 3-(2-Nitrobenzylidene)-2,4-pentanedione is 27669-22-3.
What is the molecular formula of 3-(2-Nitrobenzylidene)-2,4-pentanedione?
The molecular formula of 3-(2-Nitrobenzylidene)-2,4-pentanedione is C12H11NO4.
What is the molecular weight of 3-(2-Nitrobenzylidene)-2,4-pentanedione?
The molecular weight of 3-(2-Nitrobenzylidene)-2,4-pentanedione is 233.07 g/mol.
Where can I buy 3-(2-Nitrobenzylidene)-2,4-pentanedione?
You can request a quote for 3-(2-Nitrobenzylidene)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitrobenzylidene)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitrobenzylidene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.