![4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile structure](/static/products/6238/62381-98-0.webp)
4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
TL;DR: 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile (CAS 62381-98-0) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
Also Known As: 2-p-Tolylmethanesulfinyl-pyridine,1-oxide, 4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile, 4-(1-Oxy-pyridine-2-sulfonylmethyl)-benzonitrile, Benzonitrile, 4-[[(1-oxido-2-pyridinyl)sulfonyl]methyl]-, 4-[(1-Oxo-1lambda~5~-pyridine-2-sulfonyl)methyl]benzonitrile
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 62381-98-0 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)S(=O)(=O)CC2=CC=C(C=C2)C#N)[O-] |
| InChIKey | DZWHGWMCGXYGOB-UHFFFAOYSA-N |
Product Overview
4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile (CAS 62381-98-0), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: 4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile.
Chemical Property Profile of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
Property Insights of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile 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 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
The CAS number of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile is 62381-98-0.
What is the molecular formula of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
The molecular formula of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile is C13H10N2O3S.
What is the molecular weight of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
The molecular weight of 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile is 274.04 g/mol.
Where can I buy 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
You can request a quote for 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.