Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt
TL;DR: Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt (CAS 62591-77-9) is a chemical compound with molecular formula C6H13O5P and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid
Also Known As: tert-butyl phosphonoacetate, tert-butoxycarbonylmethylphosphonic acid, (2-tert-Butoxy-2-oxoethyl)phosphonic acid, 1-(1,1-Dimethylethyl) phosphonoacetate diammonium salt, (2-tert-butoxy-2-oxo-ethyl)phosphonic acid
| Molecular Formula | C6H13O5P |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.05006 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 62591-77-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CP(=O)(O)O |
| InChIKey | KKAWRARRTNILEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt (CAS 62591-77-9), with molecular formula C6H13O5P and molecular weight 196.05 g/mol. IUPAC: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid.
Chemical Property Profile of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt
Property Insights of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt
The XLogP value of -0.7 indicates that Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt. Following Lipinski's Rule of Five, Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt has 2 hydrogen bond donor(s) and 5 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 Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt?
The CAS number of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt is 62591-77-9.
What is the molecular formula of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt?
The molecular formula of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt is C6H13O5P.
What is the molecular weight of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt?
The molecular weight of Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt is 196.05 g/mol.
Where can I buy Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt?
You can request a quote for Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.