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Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-
TL;DR: Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- (CAS 29787-22-2) 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-(4-methylphenyl)sulfinyl-2-nitrobenzene
Also Known As: 2NO2Ph-SO-4MePh, 2-Nitrophenyl 4-methylphenyl sulfoxide, 1-nitro-2-(p-tolylsulfinyl)benzene, Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-, NCI60_009791
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 29787-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | NLGBOIUKPNEXTR-UHFFFAOYSA-N |
Product Overview
Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- (CAS 29787-22-2), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 1-(4-methylphenyl)sulfinyl-2-nitrobenzene.
Chemical Property Profile of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-
Property Insights of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-. Following Lipinski's Rule of Five, Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- 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 Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-?
The CAS number of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- is 29787-22-2.
What is the molecular formula of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-?
The molecular formula of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- is C13H11NO3S.
What is the molecular weight of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-?
The molecular weight of Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- is 261.05 g/mol.
Where can I buy Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-?
You can request a quote for Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.