Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester (CAS 2667-33-6) is a chemical compound with molecular formula C12H23O7PS and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-diethoxyphosphorylsulfanyl-2-propanoyloxyethyl) propanoate
Also Known As: Succinate malaoxon, Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, 4-03-00-01136 (Beilstein Handbook Reference), O,O-Diethyl (S-1-(1,3-dicarbethoxy)ethyl) phosphorothiolate, Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester
| Molecular Formula | C12H23O7PS |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 342.0902 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 2667-33-6 |
|---|---|
| SMILES | CCC(=O)OCC(OC(=O)CC)SP(=O)(OCC)OCC |
| InChIKey | KXHGKMZVYXFCAB-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester (CAS 2667-33-6), with molecular formula C12H23O7PS and molecular weight 342.09 g/mol. IUPAC: (2-diethoxyphosphorylsulfanyl-2-propanoyloxyethyl) propanoate.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester has 0 hydrogen bond donor(s) and 8 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,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester is 2667-33-6.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester is C12H23O7PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester is 342.09 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) 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,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.