3-Hydroxy-4-oxobutyl-1-phosphonate
TL;DR: 3-Hydroxy-4-oxobutyl-1-phosphonate (CAS 53478-18-5) is a chemical compound with molecular formula C4H9O5P and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-4-oxobutyl)phosphonic acid
Also Known As: (3-Hydroxy-4-oxobutyl)phosphonic acid, 3-Hydroxy-4-oxobutyl-1-phosphonate, Phosphonic acid, (3-hydroxy-4-oxobutyl)-, RefChem:94172
| Molecular Formula | C4H9O5P |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | -0.886 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.01875 |
| Heavy Atoms | 10 |
| Complexity | 149.72694 |
Chemical Identifiers
| CAS Number | 53478-18-5 |
|---|---|
| SMILES | C(CP(=O)(O)O)C(C=O)O |
Product Overview
3-Hydroxy-4-oxobutyl-1-phosphonate (CAS 53478-18-5), with molecular formula C4H9O5P and molecular weight 168.02 g/mol. IUPAC: (3-hydroxy-4-oxobutyl)phosphonic acid.
Chemical Property Profile of 3-Hydroxy-4-oxobutyl-1-phosphonate
Property Insights of 3-Hydroxy-4-oxobutyl-1-phosphonate
The XLogP value of -0.886 indicates that 3-Hydroxy-4-oxobutyl-1-phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-oxobutyl-1-phosphonate. Following Lipinski's Rule of Five, 3-Hydroxy-4-oxobutyl-1-phosphonate 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 3-Hydroxy-4-oxobutyl-1-phosphonate?
The CAS number of 3-Hydroxy-4-oxobutyl-1-phosphonate is 53478-18-5.
What is the molecular formula of 3-Hydroxy-4-oxobutyl-1-phosphonate?
The molecular formula of 3-Hydroxy-4-oxobutyl-1-phosphonate is C4H9O5P.
What is the molecular weight of 3-Hydroxy-4-oxobutyl-1-phosphonate?
The molecular weight of 3-Hydroxy-4-oxobutyl-1-phosphonate is 168.02 g/mol.
Where can I buy 3-Hydroxy-4-oxobutyl-1-phosphonate?
You can request a quote for 3-Hydroxy-4-oxobutyl-1-phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-oxobutyl-1-phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-oxobutyl-1-phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.