2,2'-Pyridylisatogen tosylate
TL;DR: 2,2'-Pyridylisatogen tosylate (CAS 58240-55-4) is a chemical compound with molecular formula C20H16N2O5S and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;1-oxido-2-pyridin-2-ylindol-1-ium-3-one
Also Known As: 2,2'-Pyridylisatogen tosylate, PIT, 2-(2-pyridinyl)-(3h)-indol-3-one-1-oxide 4-methylbenzenesulfonate, 3-Oxo-2-(pyridin-2-yl)-3H-indole 1-oxide 4-methylbenzenesulfonate, 4-methylbenzenesulfonic acid; 1-oxido-2-pyridin-2-ylindol-1-ium-3-one
| Molecular Formula | C20H16N2O5S |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 3.15072 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.078 |
| Heavy Atoms | 28 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 58240-55-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3 |
| InChIKey | MMPTYEXNPWSTOR-UHFFFAOYSA-N |
Product Overview
2,2'-Pyridylisatogen tosylate (CAS 58240-55-4), with molecular formula C20H16N2O5S and molecular weight 396.08 g/mol. IUPAC: 4-methylbenzenesulfonic acid;1-oxido-2-pyridin-2-ylindol-1-ium-3-one.
Chemical Property Profile of 2,2'-Pyridylisatogen tosylate
Property Insights of 2,2'-Pyridylisatogen tosylate
The XLogP value of 3.15072 indicates that 2,2'-Pyridylisatogen tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Pyridylisatogen tosylate. Following Lipinski's Rule of Five, 2,2'-Pyridylisatogen tosylate has 1 hydrogen bond donor(s) and 6 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 2,2'-Pyridylisatogen tosylate?
The CAS number of 2,2'-Pyridylisatogen tosylate is 58240-55-4.
What is the molecular formula of 2,2'-Pyridylisatogen tosylate?
The molecular formula of 2,2'-Pyridylisatogen tosylate is C20H16N2O5S.
What is the molecular weight of 2,2'-Pyridylisatogen tosylate?
The molecular weight of 2,2'-Pyridylisatogen tosylate is 396.08 g/mol.
Where can I buy 2,2'-Pyridylisatogen tosylate?
You can request a quote for 2,2'-Pyridylisatogen tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Pyridylisatogen tosylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Pyridylisatogen tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.