![1-Nitro-4-[(phenylsulfonyl)methyl]benzene structure](/static/products/3406/34063-53-1.webp)
1-Nitro-4-[(phenylsulfonyl)methyl]benzene
TL;DR: 1-Nitro-4-[(phenylsulfonyl)methyl]benzene (CAS 34063-53-1) 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)-4-nitrobenzene
Also Known As: 1-nitro-4-[(phenylsulfonyl)methyl]benzene, 4NO2Bz-SO2-Ph, 4-Nitrobenzylphenyl sulfone, 4-Nitrobenzyl phenyl sulfone, Phenyl 4-nitrobenzyl sulfone
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 1.9 |
| 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 | 395.0 |
Chemical Identifiers
| CAS Number | 34063-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YPRBJNYHZJWBGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-[(phenylsulfonyl)methyl]benzene (CAS 34063-53-1), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 1-(benzenesulfonylmethyl)-4-nitrobenzene.
Chemical Property Profile of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene
Property Insights of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-[(phenylsulfonyl)methyl]benzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-[(phenylsulfonyl)methyl]benzene. Following Lipinski's Rule of Five, 1-Nitro-4-[(phenylsulfonyl)methyl]benzene 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 1-Nitro-4-[(phenylsulfonyl)methyl]benzene?
The CAS number of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene is 34063-53-1.
What is the molecular formula of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene?
The molecular formula of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene is C13H11NO4S.
What is the molecular weight of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene?
The molecular weight of 1-Nitro-4-[(phenylsulfonyl)methyl]benzene is 277.04 g/mol.
Where can I buy 1-Nitro-4-[(phenylsulfonyl)methyl]benzene?
You can request a quote for 1-Nitro-4-[(phenylsulfonyl)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-[(phenylsulfonyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-[(phenylsulfonyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.