Woodward's reagent K
TL;DR: Woodward's reagent K (CAS 4156-16-5) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
Also Known As: Woodward's Reagent K, NEPIS, 2-Ethyl-5-phenylisoxazolium-3'-sulfonate, Woodwards reagent K, 2-Ethyl-5-phenylisoxazolium-3-sulfonate
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 4156-16-5 |
|---|---|
| SMILES | CC[N+]1=CC=C(O1)C2=CC(=CC=C2)S(=O)(=O)[O-] |
| InChIKey | MWOOKDULMBMMPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Woodward's reagent K (CAS 4156-16-5), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate.
Chemical Property Profile of Woodward's reagent K
Property Insights of Woodward's reagent K
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Woodward's reagent K. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Woodward's reagent K. Following Lipinski's Rule of Five, Woodward's reagent K 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 Woodward's reagent K?
The CAS number of Woodward's reagent K is 4156-16-5.
What is the molecular formula of Woodward's reagent K?
The molecular formula of Woodward's reagent K is C11H11NO4S.
What is the molecular weight of Woodward's reagent K?
The molecular weight of Woodward's reagent K is 253.04 g/mol.
Where can I buy Woodward's reagent K?
You can request a quote for Woodward's reagent K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Woodward's reagent K?
Yes, KEHONG BIO provides custom synthesis services for Woodward's reagent K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.