t-Butylphosphonate
TL;DR: t-Butylphosphonate (CAS 99097-88-8) is a chemical compound with molecular formula C4H9O3P-2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-dioxido-oxo-λ5-phosphane
Also Known As: t-Butylphosphonate, tert-butylphosphonate, tertbutylphosphonic acid, tert-butyl-dioxido-oxo-, dioxido-oxo-tert-butyl-phosphorane
| Molecular Formula | C4H9O3P-2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | -0.3014 |
| Topological Polar Surface Area | 63.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.02893 |
| Heavy Atoms | 8 |
| Complexity | 117.73534 |
Chemical Identifiers
| CAS Number | 99097-88-8 |
|---|---|
| SMILES | CC(C)(C)P(=O)([O-])[O-] |
Product Overview
t-Butylphosphonate (CAS 99097-88-8), with molecular formula C4H9O3P-2 and molecular weight 136.03 g/mol. IUPAC: tert-butyl-dioxido-oxo-λ5-phosphane.
Chemical Property Profile of t-Butylphosphonate
Property Insights of t-Butylphosphonate
The XLogP value of -0.3014 indicates that t-Butylphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.19 Ų falls within the moderate polarity range, balancing permeability and solubility for t-Butylphosphonate. Following Lipinski's Rule of Five, t-Butylphosphonate has 0 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 t-Butylphosphonate?
The CAS number of t-Butylphosphonate is 99097-88-8.
What is the molecular formula of t-Butylphosphonate?
The molecular formula of t-Butylphosphonate is C4H9O3P-2.
What is the molecular weight of t-Butylphosphonate?
The molecular weight of t-Butylphosphonate is 136.03 g/mol.
Where can I buy t-Butylphosphonate?
You can request a quote for t-Butylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for t-Butylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.