Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate
TL;DR: Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate (CAS 108682-57-1) is a chemical compound with molecular formula C12H22F3O6P and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[bis(2-methylpropoxy)phosphoryloxy]-3,3,3-trifluoropropanoate
Also Known As: 3,3,3-Trifluorolactic acid methyl ester diisobutyl phosphate, Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate, Propanoic acid, 2-((bis(2-methylpropoxy)phosphinyl)oxy)-3,3,3-trifluoro-, methyl ester, Methyl 2-((diisobutoxyphosphoryl)oxy)-3,3,3-trifluoropropanoate, methyl 2-[bis(2-methylpropoxy)phosphoryloxy]-3,3,3-trifluoropropanoate
| Molecular Formula | C12H22F3O6P |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.1106 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 108682-57-1 |
|---|---|
| SMILES | CC(C)COP(=O)(OCC(C)C)OC(C(=O)OC)C(F)(F)F |
| InChIKey | PWBGRDQPMSIQLE-UHFFFAOYSA-N |
Product Overview
Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate (CAS 108682-57-1), with molecular formula C12H22F3O6P and molecular weight 350.11 g/mol. IUPAC: methyl 2-[bis(2-methylpropoxy)phosphoryloxy]-3,3,3-trifluoropropanoate.
Chemical Property Profile of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate
Property Insights of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate
The XLogP value of 3.2 indicates that Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate. Following Lipinski's Rule of Five, Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate has 0 hydrogen bond donor(s) and 9 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 Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate?
The CAS number of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate is 108682-57-1.
What is the molecular formula of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate?
The molecular formula of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate is C12H22F3O6P.
What is the molecular weight of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate?
The molecular weight of Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate is 350.11 g/mol.
Where can I buy Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate?
You can request a quote for Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Lactic acid, 3,3,3-trifluoro-, methyl ester, diisobutyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.