Phosalone oxon
TL;DR: Phosalone oxon (CAS 2275-06-1) is a chemical compound with molecular formula C12H15ClNO5PS and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(diethoxyphosphorylsulfanylmethyl)-1,3-benzoxazol-2-one
Also Known As: Phosalone oxon, Phosoxalone, RP 12244, Phosphorothioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl ester, 6-chloro-3-(diethoxyphosphorylsulfanylmethyl)benzooxazol-2-one
| Molecular Formula | C12H15ClNO5PS |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.0097 |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 2275-06-1 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O |
| InChIKey | CWWMLCAWYADJOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosalone oxon (CAS 2275-06-1), with molecular formula C12H15ClNO5PS and molecular weight 351.01 g/mol. IUPAC: 6-chloro-3-(diethoxyphosphorylsulfanylmethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of Phosalone oxon
Property Insights of Phosalone oxon
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosalone oxon. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosalone oxon. Following Lipinski's Rule of Five, Phosalone oxon has 0 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 Phosalone oxon?
The CAS number of Phosalone oxon is 2275-06-1.
What is the molecular formula of Phosalone oxon?
The molecular formula of Phosalone oxon is C12H15ClNO5PS.
What is the molecular weight of Phosalone oxon?
The molecular weight of Phosalone oxon is 351.01 g/mol.
Where can I buy Phosalone oxon?
You can request a quote for Phosalone oxon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosalone oxon?
Yes, KEHONG BIO provides custom synthesis services for Phosalone oxon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.