Phosphonic acid, (3-methyl-2-oxobutyl)-
TL;DR: Phosphonic acid, (3-methyl-2-oxobutyl)- (CAS 68064-36-8) is a chemical compound with molecular formula C5H11O4P and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-2-oxobutyl)phosphonic acid
Also Known As: NCIStruc1_000821, NCIStruc2_000788, (3-methyl-2-oxobutyl)phosphonic acid, Phosphonic acid, (3-methyl-2-oxobutyl)-, 3-methyl-2-oxobutylphosphonic acid
| Molecular Formula | C5H11O4P |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.03949 |
| Heavy Atoms | 10 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 68064-36-8 |
|---|---|
| SMILES | CC(C)C(=O)CP(=O)(O)O |
| InChIKey | UJBOAPQQVIKFHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, (3-methyl-2-oxobutyl)- (CAS 68064-36-8), with molecular formula C5H11O4P and molecular weight 166.04 g/mol. IUPAC: (3-methyl-2-oxobutyl)phosphonic acid.
Chemical Property Profile of Phosphonic acid, (3-methyl-2-oxobutyl)-
Property Insights of Phosphonic acid, (3-methyl-2-oxobutyl)-
The XLogP value of -0.8 indicates that Phosphonic acid, (3-methyl-2-oxobutyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (3-methyl-2-oxobutyl)-. Following Lipinski's Rule of Five, Phosphonic acid, (3-methyl-2-oxobutyl)- has 2 hydrogen bond donor(s) and 4 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 Phosphonic acid, (3-methyl-2-oxobutyl)-?
The CAS number of Phosphonic acid, (3-methyl-2-oxobutyl)- is 68064-36-8.
What is the molecular formula of Phosphonic acid, (3-methyl-2-oxobutyl)-?
The molecular formula of Phosphonic acid, (3-methyl-2-oxobutyl)- is C5H11O4P.
What is the molecular weight of Phosphonic acid, (3-methyl-2-oxobutyl)-?
The molecular weight of Phosphonic acid, (3-methyl-2-oxobutyl)- is 166.04 g/mol.
Where can I buy Phosphonic acid, (3-methyl-2-oxobutyl)-?
You can request a quote for Phosphonic acid, (3-methyl-2-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (3-methyl-2-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (3-methyl-2-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.