Phosphoenol-2-ketobutyrate
TL;DR: Phosphoenol-2-ketobutyrate (CAS 25956-55-2) is a chemical compound with molecular formula C4H7O6P and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-phosphonooxybut-2-enoic acid
Also Known As: 2-Phosphoenolbutyrate, Phosphoenol-2-ketobutyrate, 2-PEB, Phosphoenol-alpha-ketobutyrate, 2-Butenoic acid, 2-(phosphonooxy)-
| Molecular Formula | C4H7O6P |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.99803 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 25956-55-2 |
|---|---|
| SMILES | C/C=C(/C(=O)O)\OP(=O)(O)O |
| InChIKey | FGYIHYXZLMDROB-IHWYPQMZSA-N |
Product Overview
Phosphoenol-2-ketobutyrate (CAS 25956-55-2), with molecular formula C4H7O6P and molecular weight 182.00 g/mol. IUPAC: (Z)-2-phosphonooxybut-2-enoic acid.
Chemical Property Profile of Phosphoenol-2-ketobutyrate
Property Insights of Phosphoenol-2-ketobutyrate
The XLogP value of -0.8 indicates that Phosphoenol-2-ketobutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoenol-2-ketobutyrate. Following Lipinski's Rule of Five, Phosphoenol-2-ketobutyrate has 3 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 Phosphoenol-2-ketobutyrate?
The CAS number of Phosphoenol-2-ketobutyrate is 25956-55-2.
What is the molecular formula of Phosphoenol-2-ketobutyrate?
The molecular formula of Phosphoenol-2-ketobutyrate is C4H7O6P.
What is the molecular weight of Phosphoenol-2-ketobutyrate?
The molecular weight of Phosphoenol-2-ketobutyrate is 182.00 g/mol.
Where can I buy Phosphoenol-2-ketobutyrate?
You can request a quote for Phosphoenol-2-ketobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoenol-2-ketobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phosphoenol-2-ketobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.