2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
TL;DR: 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate (CAS 629647-81-0) is a chemical compound with molecular formula C6H11O6PS and molecular weight 242.0014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxy-5-methylsulfanyl-3-oxopent-1-enyl) dihydrogen phosphate
Also Known As: 1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)-, 2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate, 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate, (2-hydroxy-5-methylsulfanyl-3-oxopent-1-enyl) dihydrogen phosphate, 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-en-1-yl dihydrogen phosphate
Technical Specifications
| Molecular Formula | C6H11O6PS |
| Molecular Weight | 242.0014 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.0014 Da |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
| SMILES | CSCCC(=O)C(=COP(=O)(O)O)O |
| InChIKey | YIEMFVNCENFBSD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
Property Insights of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
The XLogP value of -1.0 indicates that 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate. Following Lipinski's Rule of Five, 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate?
The CAS number of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate is 629647-81-0.
What is the molecular formula of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate?
The molecular formula of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate is C6H11O6PS.
What is the molecular weight of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate?
The molecular weight of 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate is 242.0014 g/mol.
Where can I buy 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate?
You can request a quote for 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.