Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester (CAS 18854-05-2) is a chemical compound with molecular formula C7H13N2O4PS and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphinothioyloxy-1,2-oxazol-5-amine
Also Known As: O-(5-Amino-3-isoxazolyl) O,O-diethyl phosphorothioate, Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester, 3-diethoxyphosphinothioyloxy-1,2-oxazol-5-amine, O-(5-amino-1,2-oxazol-3-yl) O,O-diethyl phosphorothioate, RefChem:371415
| Molecular Formula | C7H13N2O4PS |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.03337 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 18854-05-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC(=C1)N |
| InChIKey | SNIUQXGYWZNISM-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester (CAS 18854-05-2), with molecular formula C7H13N2O4PS and molecular weight 252.03 g/mol. IUPAC: 3-diethoxyphosphinothioyloxy-1,2-oxazol-5-amine.
Chemical Property Profile of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester has 1 hydrogen bond donor(s) and 7 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-amino-3-isoxazolyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester is 18854-05-2.
What is the molecular formula of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester is C7H13N2O4PS.
What is the molecular weight of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester is 252.03 g/mol.
Where can I buy Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(5-amino-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-(5-amino-3-isoxazolyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(5-amino-3-isoxazolyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.