Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone
TL;DR: Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone (CAS 70951-74-5) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzenesulfonyl)propan-2-yl]-4-nitrobenzene
Also Known As: 1-[2-(benzenesulfonyl)propan-2-yl]-4-nitrobenzene, ALPHA,ALPHA-DIMETHYL-4-NITROBENZYL PHENYL SULFONE, J1.702.466C, 1-Nitro-4-(2-(phenylsulfonyl)propan-2-yl)benzene, Benzene, 1-[1-methyl-1-(phenylsulfonyl)ethyl]-4-nitro-
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 3.3038 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 750.02045 |
Chemical Identifiers
| CAS Number | 70951-74-5 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone (CAS 70951-74-5), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: 1-[2-(benzenesulfonyl)propan-2-yl]-4-nitrobenzene.
Chemical Property Profile of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone
Property Insights of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone
The XLogP value of 3.3038 indicates that Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone. Following Lipinski's Rule of Five, Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone has 0 hydrogen bond donor(s) and 4 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 Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone?
The CAS number of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone is 70951-74-5.
What is the molecular formula of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone?
The molecular formula of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone is C15H15NO4S.
What is the molecular weight of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone?
The molecular weight of Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone is 305.07 g/mol.
Where can I buy Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone?
You can request a quote for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Alpha,alpha-dimethyl-4-nitrobenzyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.