(2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane
TL;DR: (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane (CAS 955965-74-9) is a chemical compound with molecular formula C13H10ClNO3S and molecular weight 295.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-[(2-nitrophenyl)sulfinylmethyl]benzene
Also Known As: (2-chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane, 1-[(2-chlorophenyl)methanesulfinyl]-2-nitrobenzene, 1-chloro-2-[(2-nitrophenyl)sulfinylmethyl]benzene, (2-ChlorobenZyl)(2-nitrophenyl)oxo-sulfane, 7W-0039
| Molecular Formula | C13H10ClNO3S |
|---|---|
| Molecular Weight | 295.01 g/mol |
| LogP | 3.556 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.007 |
| Heavy Atoms | 19 |
| Complexity | 645.2904 |
Chemical Identifiers
| CAS Number | 955965-74-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS(=O)C2=CC=CC=C2[N+](=O)[O-])Cl |
Product Overview
(2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane (CAS 955965-74-9), with molecular formula C13H10ClNO3S and molecular weight 295.01 g/mol. IUPAC: 1-chloro-2-[(2-nitrophenyl)sulfinylmethyl]benzene.
Chemical Property Profile of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane
Property Insights of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane
The XLogP value of 3.556 indicates that (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane. Following Lipinski's Rule of Five, (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane has 0 hydrogen bond donor(s) and 3 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-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane?
The CAS number of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane is 955965-74-9.
What is the molecular formula of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane?
The molecular formula of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane is C13H10ClNO3S.
What is the molecular weight of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane?
The molecular weight of (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane is 295.01 g/mol.
Where can I buy (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane?
You can request a quote for (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorobenzyl)(2-nitrophenyl)oxo-lambda~4~-sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.