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Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
TL;DR: Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide (CAS 14694-58-7) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-1-oxidopyridin-1-ium
Also Known As: 2-benzylsulfonyl-1-oxidopyridin-1-ium, 2-(Benzylsulfonyl)pyridine 1-oxide, 2-phenylmethylsulfonylpyridine-1-oxide, 2-benzylsulfonyl-1-oxido-pyridin-1-ium, 2-Phenylmethanesulfonyl-pyridine,1-oxide
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 14694-58-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-] |
| InChIKey | PSMJATBJEWJPHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide (CAS 14694-58-7), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: 2-benzylsulfonyl-1-oxidopyridin-1-ium.
Chemical Property Profile of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
Property Insights of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide. Following Lipinski's Rule of Five, Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide 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 Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide?
The CAS number of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide is 14694-58-7.
What is the molecular formula of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide?
The molecular formula of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide is C12H11NO3S.
What is the molecular weight of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide?
The molecular weight of Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide is 249.05 g/mol.
Where can I buy Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide?
You can request a quote for Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.