Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane
TL;DR: Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane (CAS 955975-69-6) 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-benzylsulfinyl-4-chloro-2-nitrobenzene
Also Known As: 4-chloro-2-nitro-1-phenylmethanesulfinylbenzene, 1-benzylsulfinyl-4-chloro-2-nitrobenzene, benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane, 1-benzylsulfinyl-4-chloro-2-nitro-benzene, 6W-0033
| 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 | 631.0404 |
Chemical Identifiers
| CAS Number | 955975-69-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane (CAS 955975-69-6), with molecular formula C13H10ClNO3S and molecular weight 295.01 g/mol. IUPAC: 1-benzylsulfinyl-4-chloro-2-nitrobenzene.
Chemical Property Profile of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane
Property Insights of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane
The XLogP value of 3.556 indicates that Benzyl(4-chloro-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 Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane. Following Lipinski's Rule of Five, Benzyl(4-chloro-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 Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane?
The CAS number of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane is 955975-69-6.
What is the molecular formula of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane?
The molecular formula of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane is C13H10ClNO3S.
What is the molecular weight of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane?
The molecular weight of Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane is 295.01 g/mol.
Where can I buy Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane?
You can request a quote for Benzyl(4-chloro-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 Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(4-chloro-2-nitrophenyl)oxo-lambda~4~-sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.