Ethyl 1,2,2-trimethylpropyl methylphosphonate
TL;DR: Ethyl 1,2,2-trimethylpropyl methylphosphonate (CAS 7040-56-4) is a chemical compound with molecular formula C9H21O3P and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[ethoxy(methyl)phosphoryl]oxy-2,2-dimethylbutane
Also Known As: pinacolyl ethyl methylphosphonate, Ethyl 1,2,2-trimethylpropyl methylphosphonate, O-Ethyl,O-1,2,2-trimethylpropyl methylphosphonate, 3-[ethoxy(methyl)phosphoryl]oxy-2,2-dimethylbutane, 3,3-DIMETHYLBUTAN-2-YL ETHYL METHYLPHOSPHONATE
| Molecular Formula | C9H21O3P |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.12283 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 7040-56-4 |
|---|---|
| SMILES | CCOP(=O)(C)OC(C)C(C)(C)C |
| InChIKey | PXJWMQULMOEILY-UHFFFAOYSA-N |
Product Overview
Ethyl 1,2,2-trimethylpropyl methylphosphonate (CAS 7040-56-4), with molecular formula C9H21O3P and molecular weight 208.12 g/mol. IUPAC: 3-[ethoxy(methyl)phosphoryl]oxy-2,2-dimethylbutane.
Chemical Property Profile of Ethyl 1,2,2-trimethylpropyl methylphosphonate
Property Insights of Ethyl 1,2,2-trimethylpropyl methylphosphonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,2-trimethylpropyl methylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 1,2,2-trimethylpropyl methylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,2,2-trimethylpropyl methylphosphonate 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 Ethyl 1,2,2-trimethylpropyl methylphosphonate?
The CAS number of Ethyl 1,2,2-trimethylpropyl methylphosphonate is 7040-56-4.
What is the molecular formula of Ethyl 1,2,2-trimethylpropyl methylphosphonate?
The molecular formula of Ethyl 1,2,2-trimethylpropyl methylphosphonate is C9H21O3P.
What is the molecular weight of Ethyl 1,2,2-trimethylpropyl methylphosphonate?
The molecular weight of Ethyl 1,2,2-trimethylpropyl methylphosphonate is 208.12 g/mol.
Where can I buy Ethyl 1,2,2-trimethylpropyl methylphosphonate?
You can request a quote for Ethyl 1,2,2-trimethylpropyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,2-trimethylpropyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,2-trimethylpropyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.