Alpha-nitrobenzyl phenyl sulfone
TL;DR: Alpha-nitrobenzyl phenyl sulfone (CAS 21272-78-6) 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.
[benzenesulfonyl(nitro)methyl]benzene
Also Known As: alpha-Nitrobenzyl phenyl sulfone, .alpha.-Nitrobenzyl phenyl sulfone, [benzenesulfonyl(nitro)methyl]benzene, [nitro(phenyl)methane]sulfonylbenzene, [Nitro(phenylsulfonyl)methyl]benzene #
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.8 |
| 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 | 397.0 |
Chemical Identifiers
| CAS Number | 21272-78-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | NXYDACGBBYORBZ-UHFFFAOYSA-N |
Product Overview
Alpha-nitrobenzyl phenyl sulfone (CAS 21272-78-6), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: [benzenesulfonyl(nitro)methyl]benzene.
Chemical Property Profile of Alpha-nitrobenzyl phenyl sulfone
Property Insights of Alpha-nitrobenzyl phenyl sulfone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-nitrobenzyl phenyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-nitrobenzyl phenyl sulfone. Following Lipinski's Rule of Five, Alpha-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-nitrobenzyl phenyl sulfone?
The CAS number of Alpha-nitrobenzyl phenyl sulfone is 21272-78-6.
What is the molecular formula of Alpha-nitrobenzyl phenyl sulfone?
The molecular formula of Alpha-nitrobenzyl phenyl sulfone is C13H11NO4S.
What is the molecular weight of Alpha-nitrobenzyl phenyl sulfone?
The molecular weight of Alpha-nitrobenzyl phenyl sulfone is 277.04 g/mol.
Where can I buy Alpha-nitrobenzyl phenyl sulfone?
You can request a quote for Alpha-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-nitrobenzyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Alpha-nitrobenzyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.