2-Nitrobenzyl phenyl sulfone
TL;DR: 2-Nitrobenzyl phenyl sulfone (CAS 69709-34-8) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonylmethyl)-2-nitrobenzene
Also Known As: 2-Nitrobenzyl phenyl sulfone, 2NO2Bz-SO2-Ph, (2-Nitrobenzyl)phenyl sulfone, phenylsulfonylmethylnitrobenzene, 1-(benzenesulfonylmethyl)-2-nitrobenzene
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 69709-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | YEDRXKUMPDYLDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrobenzyl phenyl sulfone (CAS 69709-34-8), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 1-(benzenesulfonylmethyl)-2-nitrobenzene.
Chemical Property Profile of 2-Nitrobenzyl phenyl sulfone
Property Insights of 2-Nitrobenzyl phenyl sulfone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzyl phenyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzyl phenyl sulfone. Following Lipinski's Rule of Five, 2-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 2-Nitrobenzyl phenyl sulfone?
The CAS number of 2-Nitrobenzyl phenyl sulfone is 69709-34-8.
What is the molecular formula of 2-Nitrobenzyl phenyl sulfone?
The molecular formula of 2-Nitrobenzyl phenyl sulfone is C13H11NO4S.
What is the molecular weight of 2-Nitrobenzyl phenyl sulfone?
The molecular weight of 2-Nitrobenzyl phenyl sulfone is 277.04 g/mol.
Where can I buy 2-Nitrobenzyl phenyl sulfone?
You can request a quote for 2-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 2-Nitrobenzyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.