4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone
TL;DR: 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone (CAS 76173-53-0) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-(2-methyl-1-nitropropan-2-yl)benzene
Also Known As: 4-(1,1-DIMETHYL-2-NITROETHYL)PHENYL PHENYL SULFONE, 1-(benzenesulfonyl)-4-(2-methyl-1-nitro-propan-2-yl)benzene, 1-(benzenesulfonyl)-4-(2-methyl-1-nitropropan-2-yl)benzene, 659-866-9, RefChem:510051
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 3.0737 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 765.5529 |
Chemical Identifiers
| CAS Number | 76173-53-0 |
|---|---|
| SMILES | CC(C)(C[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone (CAS 76173-53-0), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 1-(benzenesulfonyl)-4-(2-methyl-1-nitropropan-2-yl)benzene.
Chemical Property Profile of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone
Property Insights of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone
The XLogP value of 3.0737 indicates that 4-(1,1-Dimethyl-2-nitroethyl)phenyl 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 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone. Following Lipinski's Rule of Five, 4-(1,1-Dimethyl-2-nitroethyl)phenyl 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 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone?
The CAS number of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone is 76173-53-0.
What is the molecular formula of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone?
The molecular formula of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone is C16H17NO4S.
What is the molecular weight of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone?
The molecular weight of 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone is 319.09 g/mol.
Where can I buy 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone?
You can request a quote for 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethyl-2-nitroethyl)phenyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.