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Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-
TL;DR: Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- (CAS 22865-49-2) 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-methyl-4-(4-nitrophenyl)sulfinylbenzene
Also Known As: 4-Nitro-4'-methydlphenylsulfoxide, 4-Methylphenyl 4-nitrophenyl sulfoxide, 1-methyl-4-(4-nitrophenyl)sulfinylbenzene, 4-Nitrophenyl 4-methylphenyl sulfoxide, 4-Nitrophenyl(4-methylphenyl) sulfoxide
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 3.2 |
| 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 | 313.0 |
Chemical Identifiers
| CAS Number | 22865-49-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NDKZWHVDVTZQBG-UHFFFAOYSA-N |
Product Overview
Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- (CAS 22865-49-2), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 1-methyl-4-(4-nitrophenyl)sulfinylbenzene.
Chemical Property Profile of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-
Property Insights of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-
The XLogP value of 3.2 indicates that Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- 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-methyl-4-[(4-nitrophenyl)sulfinyl]-?
The CAS number of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- is 22865-49-2.
What is the molecular formula of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-?
The molecular formula of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- is C13H11NO3S.
What is the molecular weight of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-?
The molecular weight of Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- is 261.05 g/mol.
Where can I buy Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-?
You can request a quote for Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-[(4-nitrophenyl)sulfinyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.