4-(1-Methyl-1-nitropropyl)benzophenone
TL;DR: 4-(1-Methyl-1-nitropropyl)benzophenone (CAS 69718-95-2) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-nitrobutan-2-yl)phenyl]-phenylmethanone
Also Known As: 4-(1-METHYL-1-NITROPROPYL)BENZOPHENONE, 2-(p-Benzoylphenyl)-2-nitrobutan, [4-(2-nitrobutan-2-yl)phenyl]-phenylmethanone, (4-(2-Nitrobutan-2-yl)phenyl)(phenyl)methanone, [4-(2-nitrobutan-2-yl)phenyl]-phenyl-methanone
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.8195 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 649.49524 |
Chemical Identifiers
| CAS Number | 69718-95-2 |
|---|---|
| SMILES | CCC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
4-(1-Methyl-1-nitropropyl)benzophenone (CAS 69718-95-2), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: [4-(2-nitrobutan-2-yl)phenyl]-phenylmethanone.
Chemical Property Profile of 4-(1-Methyl-1-nitropropyl)benzophenone
Property Insights of 4-(1-Methyl-1-nitropropyl)benzophenone
The XLogP value of 3.8195 indicates that 4-(1-Methyl-1-nitropropyl)benzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Methyl-1-nitropropyl)benzophenone. Following Lipinski's Rule of Five, 4-(1-Methyl-1-nitropropyl)benzophenone has 0 hydrogen bond donor(s) and 3 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 4-(1-Methyl-1-nitropropyl)benzophenone?
The CAS number of 4-(1-Methyl-1-nitropropyl)benzophenone is 69718-95-2.
What is the molecular formula of 4-(1-Methyl-1-nitropropyl)benzophenone?
The molecular formula of 4-(1-Methyl-1-nitropropyl)benzophenone is C17H17NO3.
What is the molecular weight of 4-(1-Methyl-1-nitropropyl)benzophenone?
The molecular weight of 4-(1-Methyl-1-nitropropyl)benzophenone is 283.12 g/mol.
Where can I buy 4-(1-Methyl-1-nitropropyl)benzophenone?
You can request a quote for 4-(1-Methyl-1-nitropropyl)benzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Methyl-1-nitropropyl)benzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methyl-1-nitropropyl)benzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.