Benzyl 2-nitrophenyl sulfoxide
TL;DR: Benzyl 2-nitrophenyl sulfoxide (CAS 35804-36-5) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfinyl-2-nitrobenzene
Also Known As: Benzyl 2-nitrophenyl sulfoxide, 1-(Benzylsulfinyl)-2-nitrobenzene, 1-benzylsulfinyl-2-nitrobenzene, 1-benzylsulfinyl-2-nitro-benzene, 1-nitro-2-phenylmethanesulfinylbenzene
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 2.9026 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 583.80005 |
Chemical Identifiers
| CAS Number | 35804-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Benzyl 2-nitrophenyl sulfoxide (CAS 35804-36-5), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 1-benzylsulfinyl-2-nitrobenzene.
Chemical Property Profile of Benzyl 2-nitrophenyl sulfoxide
Property Insights of Benzyl 2-nitrophenyl sulfoxide
The XLogP value of 2.9026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-nitrophenyl sulfoxide. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-nitrophenyl sulfoxide. Following Lipinski's Rule of Five, Benzyl 2-nitrophenyl sulfoxide 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 2-nitrophenyl sulfoxide?
The CAS number of Benzyl 2-nitrophenyl sulfoxide is 35804-36-5.
What is the molecular formula of Benzyl 2-nitrophenyl sulfoxide?
The molecular formula of Benzyl 2-nitrophenyl sulfoxide is C13H11NO3S.
What is the molecular weight of Benzyl 2-nitrophenyl sulfoxide?
The molecular weight of Benzyl 2-nitrophenyl sulfoxide is 261.05 g/mol.
Where can I buy Benzyl 2-nitrophenyl sulfoxide?
You can request a quote for Benzyl 2-nitrophenyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-nitrophenyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-nitrophenyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.