2,4-Pentanedione, 3-nitro-
TL;DR: 2,4-Pentanedione, 3-nitro- (CAS 32113-67-0) is a chemical compound with molecular formula C5H7NO4 and molecular weight 145.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropentane-2,4-dione
Also Known As: 3-nitropentane-2,4-dione, 3-Nitro-acetylaceton, 2,4-Pentanedione, 3-nitro-, 3-nitro-2,4-pentanedione, 3-Nitro-2,4-pentadione
| Molecular Formula | C5H7NO4 |
|---|---|
| Molecular Weight | 145.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.0375 |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 32113-67-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)[N+](=O)[O-] |
| InChIKey | TZYZJJBYPMTHJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pentanedione, 3-nitro- (CAS 32113-67-0), with molecular formula C5H7NO4 and molecular weight 145.04 g/mol. IUPAC: 3-nitropentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-nitro-
Property Insights of 2,4-Pentanedione, 3-nitro-
The XLogP value of -0.1 indicates that 2,4-Pentanedione, 3-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pentanedione, 3-nitro-. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-nitro- 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 2,4-Pentanedione, 3-nitro-?
The CAS number of 2,4-Pentanedione, 3-nitro- is 32113-67-0.
What is the molecular formula of 2,4-Pentanedione, 3-nitro-?
The molecular formula of 2,4-Pentanedione, 3-nitro- is C5H7NO4.
What is the molecular weight of 2,4-Pentanedione, 3-nitro-?
The molecular weight of 2,4-Pentanedione, 3-nitro- is 145.04 g/mol.
Where can I buy 2,4-Pentanedione, 3-nitro-?
You can request a quote for 2,4-Pentanedione, 3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.