1-(Phosphonooxy)-2,4-pentanedione
TL;DR: 1-(Phosphonooxy)-2,4-pentanedione (CAS 157247-71-7) is a chemical compound with molecular formula C5H9O6P and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxopentyl dihydrogen phosphate
Also Known As: 2,4-Dioxopentyl phosphate, 1-(Phosphonooxy)-2,4-pentanedione, 2,4-dioxopentyl dihydrogen phosphate, 2,4-Pentanedione,1-(phosphonooxy)-, RefChem:74773
| Molecular Formula | C5H9O6P |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.01367 |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 157247-71-7 |
|---|---|
| SMILES | CC(=O)CC(=O)COP(=O)(O)O |
| InChIKey | LRWLMFKDYYVQOB-UHFFFAOYSA-N |
Product Overview
1-(Phosphonooxy)-2,4-pentanedione (CAS 157247-71-7), with molecular formula C5H9O6P and molecular weight 196.01 g/mol. IUPAC: 2,4-dioxopentyl dihydrogen phosphate.
Chemical Property Profile of 1-(Phosphonooxy)-2,4-pentanedione
Property Insights of 1-(Phosphonooxy)-2,4-pentanedione
The XLogP value of -1.9 indicates that 1-(Phosphonooxy)-2,4-pentanedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phosphonooxy)-2,4-pentanedione. Following Lipinski's Rule of Five, 1-(Phosphonooxy)-2,4-pentanedione has 2 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 1-(Phosphonooxy)-2,4-pentanedione?
The CAS number of 1-(Phosphonooxy)-2,4-pentanedione is 157247-71-7.
What is the molecular formula of 1-(Phosphonooxy)-2,4-pentanedione?
The molecular formula of 1-(Phosphonooxy)-2,4-pentanedione is C5H9O6P.
What is the molecular weight of 1-(Phosphonooxy)-2,4-pentanedione?
The molecular weight of 1-(Phosphonooxy)-2,4-pentanedione is 196.01 g/mol.
Where can I buy 1-(Phosphonooxy)-2,4-pentanedione?
You can request a quote for 1-(Phosphonooxy)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phosphonooxy)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phosphonooxy)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.