Demethylphosphinothricin
TL;DR: Demethylphosphinothricin (CAS 85178-62-7) is a chemical compound with molecular formula C4H9NO4P+ and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-amino-3-carboxypropyl]-hydroxy-oxophosphanium
Also Known As: demethylphosphinothricin, phosphinoalanine, Fosfomycin Trometamol Impurity 48, 4-Nonenoic acid,9-hydroxy-,(Z), Butanoic acid, 2-amino-4-(hydroxyphosphinyl)-, (2S)-
| Molecular Formula | C4H9NO4P+ |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | -0.4769 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.02692 |
| Heavy Atoms | 10 |
| Complexity | 148.19302 |
Chemical Identifiers
| CAS Number | 85178-62-7 |
|---|---|
| SMILES | C(C[P+](=O)O)[C@@H](C(=O)O)N |
Product Overview
Demethylphosphinothricin (CAS 85178-62-7), with molecular formula C4H9NO4P+ and molecular weight 166.03 g/mol. IUPAC: [(3S)-3-amino-3-carboxypropyl]-hydroxy-oxophosphanium.
Chemical Property Profile of Demethylphosphinothricin
Property Insights of Demethylphosphinothricin
The XLogP value of -0.4769 indicates that Demethylphosphinothricin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethylphosphinothricin. Following Lipinski's Rule of Five, Demethylphosphinothricin 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 Demethylphosphinothricin?
The CAS number of Demethylphosphinothricin is 85178-62-7.
What is the molecular formula of Demethylphosphinothricin?
The molecular formula of Demethylphosphinothricin is C4H9NO4P+.
What is the molecular weight of Demethylphosphinothricin?
The molecular weight of Demethylphosphinothricin is 166.03 g/mol.
Where can I buy Demethylphosphinothricin?
You can request a quote for Demethylphosphinothricin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylphosphinothricin?
Yes, KEHONG BIO provides custom synthesis services for Demethylphosphinothricin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.