4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone
TL;DR: 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone (CAS 65253-41-0) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,3-dimethyl-3-nitrobutan-2-yl)phenyl]-phenylmethanone
Also Known As: 4-(2-NITRO-1,1,2-TRIMETHYLPROPYL)BENZOPHENONE, 2,3-Dimethyl-2-(p-benzoylphenyl)-3-nitro-butan, [4-(2,3-dimethyl-3-nitrobutan-2-yl)phenyl](phenyl)methanone, [4-(2,3-dimethyl-3-nitrobutan-2-yl)phenyl]-phenylmethanone, [4-(2,3-dimethyl-3-nitro-butan-2-yl)phenyl]-phenyl-methanone
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.2505 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 716.03973 |
Chemical Identifiers
| CAS Number | 65253-41-0 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(C)(C)[N+](=O)[O-] |
Product Overview
4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone (CAS 65253-41-0), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: [4-(2,3-dimethyl-3-nitrobutan-2-yl)phenyl]-phenylmethanone.
Chemical Property Profile of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone
Property Insights of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone
The XLogP value of 4.2505 indicates that 4-(2-Nitro-1,1,2-trimethylpropyl)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-(2-Nitro-1,1,2-trimethylpropyl)benzophenone. Following Lipinski's Rule of Five, 4-(2-Nitro-1,1,2-trimethylpropyl)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-(2-Nitro-1,1,2-trimethylpropyl)benzophenone?
The CAS number of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone is 65253-41-0.
What is the molecular formula of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone?
The molecular formula of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone is C19H21NO3.
What is the molecular weight of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone?
The molecular weight of 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone is 311.15 g/mol.
Where can I buy 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone?
You can request a quote for 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitro-1,1,2-trimethylpropyl)benzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.