![2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid structure](/static/products/6951/6951-64-0.webp)
2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
TL;DR: 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid (CAS 6951-64-0) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
Also Known As: 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 6951-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(CC(=O)C2=CC=CC=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | OXISQRBRNJKOGQ-UHFFFAOYSA-N |
Product Overview
2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid (CAS 6951-64-0), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
Property Insights of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid has 1 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-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is 6951-64-0.
What is the molecular formula of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is C17H15NO5.
What is the molecular weight of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is 313.10 g/mol.
Where can I buy 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[Nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.