4-Chlorophenyl 4-nitrobenzyl sulfone
TL;DR: 4-Chlorophenyl 4-nitrobenzyl sulfone (CAS 100398-52-5) is a chemical compound with molecular formula C13H10ClNO4S and molecular weight 311.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzene
Also Known As: 4-Nitrobenzyl 4-chlorophenyl sulfone, 4-CHLOROPHENYL 4-NITROBENZYL SULFONE, 1-chloro-4-(4-nitrobenzylsulfonyl)benzene, J2.285.540I, 1-chloro-4-{[(4-nitrophenyl)methane]sulfonyl}benzene
| Molecular Formula | C13H10ClNO4S |
|---|---|
| Molecular Weight | 311.00 g/mol |
| LogP | 3.2221 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0019 |
| Heavy Atoms | 20 |
| Complexity | 723.9714 |
Chemical Identifiers
| CAS Number | 100398-52-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-Chlorophenyl 4-nitrobenzyl sulfone (CAS 100398-52-5), with molecular formula C13H10ClNO4S and molecular weight 311.00 g/mol. IUPAC: 1-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzene.
Chemical Property Profile of 4-Chlorophenyl 4-nitrobenzyl sulfone
Property Insights of 4-Chlorophenyl 4-nitrobenzyl sulfone
The XLogP value of 3.2221 indicates that 4-Chlorophenyl 4-nitrobenzyl 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-Chlorophenyl 4-nitrobenzyl sulfone. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-nitrobenzyl 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-Chlorophenyl 4-nitrobenzyl sulfone?
The CAS number of 4-Chlorophenyl 4-nitrobenzyl sulfone is 100398-52-5.
What is the molecular formula of 4-Chlorophenyl 4-nitrobenzyl sulfone?
The molecular formula of 4-Chlorophenyl 4-nitrobenzyl sulfone is C13H10ClNO4S.
What is the molecular weight of 4-Chlorophenyl 4-nitrobenzyl sulfone?
The molecular weight of 4-Chlorophenyl 4-nitrobenzyl sulfone is 311.00 g/mol.
Where can I buy 4-Chlorophenyl 4-nitrobenzyl sulfone?
You can request a quote for 4-Chlorophenyl 4-nitrobenzyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 4-nitrobenzyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-nitrobenzyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.