(2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid
TL;DR: (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid (CAS 81746-53-4) is a chemical compound with molecular formula C5H12NO5P and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid
Also Known As: 1-Methyl 3-amino-3-phosphonobutanoate, methyl 3-amino-3-phosphonobutyrate, (2-amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid, Butanoic acid, 3-amino-3-phosphono-, 1-methyl ester, RefChem:1049654
| Molecular Formula | C5H12NO5P |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | -0.5979 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0453 |
| Heavy Atoms | 12 |
| Complexity | 219.87846 |
Chemical Identifiers
| CAS Number | 81746-53-4 |
|---|---|
| SMILES | CC(CC(=O)OC)(N)P(=O)(O)O |
Product Overview
(2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid (CAS 81746-53-4), with molecular formula C5H12NO5P and molecular weight 197.05 g/mol. IUPAC: (2-amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid.
Chemical Property Profile of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid
Property Insights of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid
The XLogP value of -0.5979 indicates that (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid. Following Lipinski's Rule of Five, (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid has 3 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 (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid?
The CAS number of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid is 81746-53-4.
What is the molecular formula of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid?
The molecular formula of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid is C5H12NO5P.
What is the molecular weight of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid?
The molecular weight of (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid is 197.05 g/mol.
Where can I buy (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid?
You can request a quote for (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Amino-4-methoxy-4-oxobutan-2-yl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.