Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester (CAS 4156-44-9) is a chemical compound with molecular formula C11H13ClNO4PS and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-1,2-benzoxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 52957, Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester, (5-chloro-1,2-benzoxazol-3-yl)oxy-diethoxy-sulfanylidene-, (5-chloro-1,2-benzoxazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-, O-(5-Chloro-1,2-benzoxazol-3-yl) O,O-diethyl phosphorothioate
| Molecular Formula | C11H13ClNO4PS |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.99915 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 4156-44-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC2=C1C=C(C=C2)Cl |
| InChIKey | LHTFYFJZBOWICX-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester (CAS 4156-44-9), with molecular formula C11H13ClNO4PS and molecular weight 321.00 g/mol. IUPAC: (5-chloro-1,2-benzoxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester
The XLogP value of 4.5 indicates that Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) 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-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) 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-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester is 4156-44-9.
What is the molecular formula of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester is C11H13ClNO4PS.
What is the molecular weight of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester is 321.00 g/mol.
Where can I buy Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) 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-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.