1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester
TL;DR: 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester (CAS 63991-73-1) is a chemical compound with molecular formula C9H11F3O6 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(fluoromethyl) propane-1,2,3-tricarboxylate
Also Known As: Fluorotriacetin, Glyceryl tris(monofluoroacetate), 1,2,3-Propanetricarboxylicacidtris ester, 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester, tris(fluoromethyl) propane-1,2,3-tricarboxylate
| Molecular Formula | C9H11F3O6 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 272.05078 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 63991-73-1 |
|---|---|
| SMILES | C(C(CC(=O)OCF)C(=O)OCF)C(=O)OCF |
| InChIKey | URDRYRSKJRSQEJ-UHFFFAOYSA-N |
Product Overview
1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester (CAS 63991-73-1), with molecular formula C9H11F3O6 and molecular weight 272.05 g/mol. IUPAC: tris(fluoromethyl) propane-1,2,3-tricarboxylate.
Chemical Property Profile of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester
Property Insights of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester. Following Lipinski's Rule of Five, 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester 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 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester?
The CAS number of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester is 63991-73-1.
What is the molecular formula of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester?
The molecular formula of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester is C9H11F3O6.
What is the molecular weight of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester?
The molecular weight of 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester is 272.05 g/mol.
Where can I buy 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester?
You can request a quote for 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetricarboxylic acid, tris(fluoromethyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.