Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester
TL;DR: Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester (CAS 63025-48-9) is a chemical compound with molecular formula C6H9ClNO4PS and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-5-methyl-1,2-oxazol-3-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-(4-Chloro-5-methyl-3-isoxazolyl) O,O-dimethyl phosphorothioate, Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester, o-(4-chloro-5-methyl-1,2-oxazol-3-yl) o,o-dimethyl phosphorothioate, (4-chloro-5-methyl-1,2-oxazol-3-yl)oxy-dimethoxy-sulfanylidene-, RefChem:371411
| Molecular Formula | C6H9ClNO4PS |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.96783 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 63025-48-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)OP(=S)(OC)OC)Cl |
| InChIKey | IRJBPFCRFGEYRT-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester (CAS 63025-48-9), with molecular formula C6H9ClNO4PS and molecular weight 256.97 g/mol. IUPAC: (4-chloro-5-methyl-1,2-oxazol-3-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester
Property Insights of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester 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 Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester is 63025-48-9.
What is the molecular formula of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester is C6H9ClNO4PS.
What is the molecular weight of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester is 256.97 g/mol.
Where can I buy Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(4-chloro-5-methyl-3-isoxazolyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.