Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate
TL;DR: Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate (CAS 108936-90-9) is a chemical compound with molecular formula C16H30F3O6P and molecular weight 406.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-dihexoxyphosphoryloxy-3,3,3-trifluoropropanoate
Also Known As: 3,3,3-Trifluorolactic acid methyl ester dihexyl phosphate, NCI60_030451, Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate, methyl 2-{[bis(hexyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate, Propanoic acid, 2-((bis(hexyloxy)phosphinyl)oxy)-3,3,3-trifluoro-, methyl ester
| Molecular Formula | C16H30F3O6P |
|---|---|
| Molecular Weight | 406.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 406.17322 |
| Heavy Atoms | 26 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 108936-90-9 |
|---|---|
| SMILES | CCCCCCOP(=O)(OCCCCCC)OC(C(=O)OC)C(F)(F)F |
| InChIKey | VULSCMWMOQMCEZ-UHFFFAOYSA-N |
Product Overview
Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate (CAS 108936-90-9), with molecular formula C16H30F3O6P and molecular weight 406.17 g/mol. IUPAC: methyl 2-dihexoxyphosphoryloxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate
Property Insights of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate
The XLogP value of 5.3 indicates that Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl 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, dihexyl phosphate. Following Lipinski's Rule of Five, Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate?
The CAS number of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate is 108936-90-9.
What is the molecular formula of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate?
The molecular formula of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate is C16H30F3O6P.
What is the molecular weight of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate?
The molecular weight of Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate is 406.17 g/mol.
Where can I buy Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate?
You can request a quote for Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl 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, dihexyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Lactic acid, 3,3,3-trifluoro-, methyl ester, dihexyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.