3-(2-Nitro-1-phenylethyl)pentane-2,4-dione
TL;DR: 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione (CAS 73465-38-0) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitro-1-phenylethyl)pentane-2,4-dione
Also Known As: 3-(2-nitro-1-phenylethyl)pentane-2,4-dione, 3-nitro-1,1-diacetyl-2-phenylpropane, 2,4-Pentanedione,3-(2-nitro-1-phenylethyl)-, 3-(1-Phenyl-2-nitroethyl)-2,4-pentanedione, 3-(1-Phenyl-2-nitroethyl)pentane-2,4-dione
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 73465-38-0 |
|---|---|
| SMILES | CC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)C |
| InChIKey | OPKHMCBLQAHSEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Nitro-1-phenylethyl)pentane-2,4-dione (CAS 73465-38-0), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 3-(2-nitro-1-phenylethyl)pentane-2,4-dione.
Chemical Property Profile of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione
Property Insights of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione 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-Nitro-1-phenylethyl)pentane-2,4-dione?
The CAS number of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione is 73465-38-0.
What is the molecular formula of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione?
The molecular formula of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione is C13H15NO4.
What is the molecular weight of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione?
The molecular weight of 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione is 249.10 g/mol.
Where can I buy 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione?
You can request a quote for 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitro-1-phenylethyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.