Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate
TL;DR: Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate (CAS 2641-07-8) is a chemical compound with molecular formula C12H26NO7PS and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-di(propan-2-yloxy)phosphorylsulfanyl-N,N-dimethylethanamine;oxalic acid
Also Known As: Diisopropoxy-(2-dimethylaminoethylthio)phosphine oxide oxalate, Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate, Phosphorothioic acid, O,O-isopropyl-S-(2-(dimethylamino)ethyl)ester, oxalate, 2-di(propan-2-yloxy)phosphorylsulfanyl-N,N-dimethylethanamine; oxalic acid, Oxalic acid--S-[2-(dimethylamino)ethyl] O,O-di(propan-2-yl) phosphorothioate (1/1)
| Molecular Formula | C12H26NO7PS |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.11676 |
| Heavy Atoms | 22 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 2641-07-8 |
|---|---|
| SMILES | CC(C)OP(=O)(OC(C)C)SCCN(C)C.C(=O)(C(=O)O)O |
| InChIKey | ZIALDJSCOMGVJF-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate (CAS 2641-07-8), with molecular formula C12H26NO7PS and molecular weight 359.12 g/mol. IUPAC: 2-di(propan-2-yloxy)phosphorylsulfanyl-N,N-dimethylethanamine;oxalic acid.
Chemical Property Profile of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate
Property Insights of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate has 2 hydrogen bond donor(s) and 9 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-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate?
The CAS number of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate is 2641-07-8.
What is the molecular formula of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate?
The molecular formula of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate is C12H26NO7PS.
What is the molecular weight of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate?
The molecular weight of Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate is 359.12 g/mol.
Where can I buy Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate?
You can request a quote for Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate 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-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diisopropyl S-(2-(dimethylamino)ethyl) ester, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.