(3,3-Dimethyl-2-oxobutyl)phosphonic acid
TL;DR: (3,3-Dimethyl-2-oxobutyl)phosphonic acid (CAS 68064-38-0) is a chemical compound with molecular formula C6H13O4P and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl)phosphonic acid
Also Known As: NCIStruc1_000861, NCIStruc2_000942, (3,3-dimethyl-2-oxobutyl)phosphonic acid, 3,3-dimethyl-2-oxobutylphosphonic acid, NCI60_002771
| Molecular Formula | C6H13O4P |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.05515 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 68064-38-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CP(=O)(O)O |
| InChIKey | DGPQZGOPASHPGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,3-Dimethyl-2-oxobutyl)phosphonic acid (CAS 68064-38-0), with molecular formula C6H13O4P and molecular weight 180.06 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl)phosphonic acid.
Chemical Property Profile of (3,3-Dimethyl-2-oxobutyl)phosphonic acid
Property Insights of (3,3-Dimethyl-2-oxobutyl)phosphonic acid
The XLogP value of -0.4 indicates that (3,3-Dimethyl-2-oxobutyl)phosphonic acid 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 (3,3-Dimethyl-2-oxobutyl)phosphonic acid. Following Lipinski's Rule of Five, (3,3-Dimethyl-2-oxobutyl)phosphonic acid 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 (3,3-Dimethyl-2-oxobutyl)phosphonic acid?
The CAS number of (3,3-Dimethyl-2-oxobutyl)phosphonic acid is 68064-38-0.
What is the molecular formula of (3,3-Dimethyl-2-oxobutyl)phosphonic acid?
The molecular formula of (3,3-Dimethyl-2-oxobutyl)phosphonic acid is C6H13O4P.
What is the molecular weight of (3,3-Dimethyl-2-oxobutyl)phosphonic acid?
The molecular weight of (3,3-Dimethyl-2-oxobutyl)phosphonic acid is 180.06 g/mol.
Where can I buy (3,3-Dimethyl-2-oxobutyl)phosphonic acid?
You can request a quote for (3,3-Dimethyl-2-oxobutyl)phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,3-Dimethyl-2-oxobutyl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (3,3-Dimethyl-2-oxobutyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.