1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate
TL;DR: 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate (CAS 431998-97-9) 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.
(1-oxo-1-phenylbutan-2-yl) 4-nitrobenzoate
Also Known As: 1-oxo-1-phenylbutan-2-yl 4-nitrobenzoate, (1-oxo-1-phenylbutan-2-yl) 4-nitrobenzoate, 1-ethyl-2-oxo-2-phenylethyl 4-nitrobenzoate
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 3.4131 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 709.5234 |
Chemical Identifiers
| CAS Number | 431998-97-9 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate (CAS 431998-97-9), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: (1-oxo-1-phenylbutan-2-yl) 4-nitrobenzoate.
Chemical Property Profile of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate
Property Insights of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate
The XLogP value of 3.4131 indicates that 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate 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 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate?
The CAS number of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate is 431998-97-9.
What is the molecular formula of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate?
The molecular formula of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate is C17H15NO5.
What is the molecular weight of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate?
The molecular weight of 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate is 313.10 g/mol.
Where can I buy 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate?
You can request a quote for 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1-phenylbutan-2-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.