Sulfone, 2-chloroethyl p-nitrophenyl
TL;DR: Sulfone, 2-chloroethyl p-nitrophenyl (CAS 6461-63-8) is a chemical compound with molecular formula C8H8ClNO4S and molecular weight 248.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylsulfonyl)-4-nitrobenzene
Also Known As: Sulfone, 2-chloroethyl p-nitrophenyl, 1-(2-chloroethanesulfonyl)-4-nitrobenzene, NCIOpen2_003661, 1-(2-chloroethylsulfonyl)-4-nitrobenzene, 2-chloroethyl 4-nitrophenyl sulfone
| Molecular Formula | C8H8ClNO4S |
|---|---|
| Molecular Weight | 248.99 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 | 248.98625 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 6461-63-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CCCl |
| InChIKey | XJTIHTHZQXELBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfone, 2-chloroethyl p-nitrophenyl (CAS 6461-63-8), with molecular formula C8H8ClNO4S and molecular weight 248.99 g/mol. IUPAC: 1-(2-chloroethylsulfonyl)-4-nitrobenzene.
Chemical Property Profile of Sulfone, 2-chloroethyl p-nitrophenyl
Property Insights of Sulfone, 2-chloroethyl p-nitrophenyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfone, 2-chloroethyl p-nitrophenyl. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfone, 2-chloroethyl p-nitrophenyl. Following Lipinski's Rule of Five, Sulfone, 2-chloroethyl p-nitrophenyl 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 Sulfone, 2-chloroethyl p-nitrophenyl?
The CAS number of Sulfone, 2-chloroethyl p-nitrophenyl is 6461-63-8.
What is the molecular formula of Sulfone, 2-chloroethyl p-nitrophenyl?
The molecular formula of Sulfone, 2-chloroethyl p-nitrophenyl is C8H8ClNO4S.
What is the molecular weight of Sulfone, 2-chloroethyl p-nitrophenyl?
The molecular weight of Sulfone, 2-chloroethyl p-nitrophenyl is 248.99 g/mol.
Where can I buy Sulfone, 2-chloroethyl p-nitrophenyl?
You can request a quote for Sulfone, 2-chloroethyl p-nitrophenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfone, 2-chloroethyl p-nitrophenyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfone, 2-chloroethyl p-nitrophenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.