Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester (CAS 6302-58-5) is a chemical compound with molecular formula C13H15ClNO4PS and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-5-phenyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioicacid,O- O,O-diethylester, O-(4-Chloro-5-phenyl-3-isoxazolyl) O,O-diethyl phosphorothioate, Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester, o-(4-chloro-5-phenyl-1,2-oxazol-3-yl) o,o-diethyl phosphorothioate, (4-chloro-5-phenyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-
| Molecular Formula | C13H15ClNO4PS |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.0148 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6302-58-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC(=C1Cl)C2=CC=CC=C2 |
| InChIKey | VZPJAVWCVPDIBM-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester (CAS 6302-58-5), with molecular formula C13H15ClNO4PS and molecular weight 347.01 g/mol. IUPAC: (4-chloro-5-phenyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester
The XLogP value of 4.9 indicates that Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl 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-phenyl-3-isoxazolyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester is 6302-58-5.
What is the molecular formula of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester is C13H15ClNO4PS.
What is the molecular weight of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester is 347.01 g/mol.
Where can I buy Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl 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-phenyl-3-isoxazolyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.