4-Methylphenyl 3-nitro-2-pyridinyl sulfone
TL;DR: 4-Methylphenyl 3-nitro-2-pyridinyl sulfone (CAS 477871-39-9) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3-nitropyridine
Also Known As: 4-methylphenyl 3-nitro-2-pyridinyl sulfone, 3-nitro-2-tosyl-pyridine, 2-(4-methylbenzenesulfonyl)-3-nitropyridine, ksc-8-111, 2-(4-methylphenyl)sulfonyl-3-nitropyridine
| Molecular Formula | C12H10N2O4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 2.13102 |
| Topological Polar Surface Area | 90.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.03613 |
| Heavy Atoms | 19 |
| Complexity | 723.64954 |
Chemical Identifiers
| CAS Number | 477871-39-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
4-Methylphenyl 3-nitro-2-pyridinyl sulfone (CAS 477871-39-9), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3-nitropyridine.
Chemical Property Profile of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone
Property Insights of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone
The XLogP value of 2.13102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl 3-nitro-2-pyridinyl sulfone. The TPSA of 90.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl 3-nitro-2-pyridinyl sulfone. Following Lipinski's Rule of Five, 4-Methylphenyl 3-nitro-2-pyridinyl sulfone has 0 hydrogen bond donor(s) and 5 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 4-Methylphenyl 3-nitro-2-pyridinyl sulfone?
The CAS number of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone is 477871-39-9.
What is the molecular formula of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone?
The molecular formula of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone is C12H10N2O4S.
What is the molecular weight of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone?
The molecular weight of 4-Methylphenyl 3-nitro-2-pyridinyl sulfone is 278.04 g/mol.
Where can I buy 4-Methylphenyl 3-nitro-2-pyridinyl sulfone?
You can request a quote for 4-Methylphenyl 3-nitro-2-pyridinyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 3-nitro-2-pyridinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 3-nitro-2-pyridinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.