2,4-Pentanedione, 3-(2-nitrobenzoyl)-
TL;DR: 2,4-Pentanedione, 3-(2-nitrobenzoyl)- (CAS 58130-13-5) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrobenzoyl)pentane-2,4-dione
Also Known As: 2,4-Pentanedione, 3-(2-nitrobenzoyl)-, 3-(2-nitrobenzoyl)pentane-2,4-dione, 1-Propanamine, 2,2-dimethyl-, 3-(2-nitro-benzoyl)-pentane-2,4-dione, RefChem:246883
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.5717 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 521.02423 |
Chemical Identifiers
| CAS Number | 58130-13-5 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)C(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2,4-Pentanedione, 3-(2-nitrobenzoyl)- (CAS 58130-13-5), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: 3-(2-nitrobenzoyl)pentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-(2-nitrobenzoyl)-
Property Insights of 2,4-Pentanedione, 3-(2-nitrobenzoyl)-
The XLogP value of 1.5717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-(2-nitrobenzoyl)-. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pentanedione, 3-(2-nitrobenzoyl)-. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-(2-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-Pentanedione, 3-(2-nitrobenzoyl)-?
The CAS number of 2,4-Pentanedione, 3-(2-nitrobenzoyl)- is 58130-13-5.
What is the molecular formula of 2,4-Pentanedione, 3-(2-nitrobenzoyl)-?
The molecular formula of 2,4-Pentanedione, 3-(2-nitrobenzoyl)- is C12H11NO5.
What is the molecular weight of 2,4-Pentanedione, 3-(2-nitrobenzoyl)-?
The molecular weight of 2,4-Pentanedione, 3-(2-nitrobenzoyl)- is 249.06 g/mol.
Where can I buy 2,4-Pentanedione, 3-(2-nitrobenzoyl)-?
You can request a quote for 2,4-Pentanedione, 3-(2-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-Pentanedione, 3-(2-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-(2-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.