(4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide
TL;DR: (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide (CAS 40949-56-2) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide
Also Known As: N-1-pyridinium sulfonamidate, N-Pyridinio-N-tosylamine anion, Pyridinium, hydroxide, inner salt, Tosyl(pyridinium-1-yl)amine anion, (4-methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 40949-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC=CC=C2 |
| InChIKey | GHMKULDUWRCUSB-UHFFFAOYSA-N |
Product Overview
(4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide (CAS 40949-56-2), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: (4-methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide.
Chemical Property Profile of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide
Property Insights of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide. With a topological polar surface area (TPSA) of 47.4 Ų, (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide 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 (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide?
The CAS number of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide is 40949-56-2.
What is the molecular formula of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide?
The molecular formula of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide is C12H12N2O2S.
What is the molecular weight of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide?
The molecular weight of (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide is 248.06 g/mol.
Where can I buy (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide?
You can request a quote for (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylphenyl)sulfonyl-pyridin-1-ium-1-ylazanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.