Phosphoenol-3-chloropyruvate
TL;DR: Phosphoenol-3-chloropyruvate (CAS 126582-77-2) is a chemical compound with molecular formula C3H4ClO6P and molecular weight 201.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-chloro-2-phosphonooxyprop-2-enoic acid
Also Known As: 3-Chlorophosphoenolpyruvate, Phosphoenol-3-chloropyruvate, 3-Cl-PEP, (Z)-3-Cl-PEP, (Z)-3-Cl-Phosphoenolpyruvate
| Molecular Formula | C3H4ClO6P |
|---|---|
| Molecular Weight | 201.94 g/mol |
| LogP | 0.2605 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.9434 |
| Heavy Atoms | 11 |
| Complexity | 227.98189 |
Chemical Identifiers
| CAS Number | 126582-77-2 |
|---|---|
| SMILES | C(=C(/C(=O)O)\OP(=O)(O)O)\Cl |
Product Overview
Phosphoenol-3-chloropyruvate (CAS 126582-77-2), with molecular formula C3H4ClO6P and molecular weight 201.94 g/mol. IUPAC: (Z)-3-chloro-2-phosphonooxyprop-2-enoic acid.
Chemical Property Profile of Phosphoenol-3-chloropyruvate
Property Insights of Phosphoenol-3-chloropyruvate
The XLogP value of 0.2605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoenol-3-chloropyruvate. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoenol-3-chloropyruvate. Following Lipinski's Rule of Five, Phosphoenol-3-chloropyruvate has 3 hydrogen bond donor(s) and 3 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-3-chloropyruvate?
The CAS number of Phosphoenol-3-chloropyruvate is 126582-77-2.
What is the molecular formula of Phosphoenol-3-chloropyruvate?
The molecular formula of Phosphoenol-3-chloropyruvate is C3H4ClO6P.
What is the molecular weight of Phosphoenol-3-chloropyruvate?
The molecular weight of Phosphoenol-3-chloropyruvate is 201.94 g/mol.
Where can I buy Phosphoenol-3-chloropyruvate?
You can request a quote for Phosphoenol-3-chloropyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoenol-3-chloropyruvate?
Yes, KEHONG BIO provides custom synthesis services for Phosphoenol-3-chloropyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.