Thiophosphoenolpyruvate
TL;DR: Thiophosphoenolpyruvate (CAS 89232-34-8) is a chemical compound with molecular formula C3H3O5PS-2 and molecular weight 181.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dioxidophosphinothioyloxyprop-2-enoic acid
Also Known As: Thiophosphoenolpyruvate, 2-dioxidophosphinothioyloxyprop-2-enoic acid, O-(1-Carboxyethen-1-yl) phosphorothioate, RefChem:189623
| Molecular Formula | C3H3O5PS-2 |
|---|---|
| Molecular Weight | 181.94 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.94388 |
| Heavy Atoms | 10 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 89232-34-8 |
|---|---|
| SMILES | C=C(C(=O)O)OP(=S)([O-])[O-] |
| InChIKey | DQDQCWVYWOACBY-UHFFFAOYSA-L |
Product Overview
Thiophosphoenolpyruvate (CAS 89232-34-8), with molecular formula C3H3O5PS-2 and molecular weight 181.94 g/mol. IUPAC: 2-dioxidophosphinothioyloxyprop-2-enoic acid.
Chemical Property Profile of Thiophosphoenolpyruvate
Property Insights of Thiophosphoenolpyruvate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophosphoenolpyruvate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophosphoenolpyruvate. Following Lipinski's Rule of Five, Thiophosphoenolpyruvate has 1 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 Thiophosphoenolpyruvate?
The CAS number of Thiophosphoenolpyruvate is 89232-34-8.
What is the molecular formula of Thiophosphoenolpyruvate?
The molecular formula of Thiophosphoenolpyruvate is C3H3O5PS-2.
What is the molecular weight of Thiophosphoenolpyruvate?
The molecular weight of Thiophosphoenolpyruvate is 181.94 g/mol.
Where can I buy Thiophosphoenolpyruvate?
You can request a quote for Thiophosphoenolpyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophosphoenolpyruvate?
Yes, KEHONG BIO provides custom synthesis services for Thiophosphoenolpyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.