Tributyl prop-1-ene-1,2,3-tricarboxylate
TL;DR: Tributyl prop-1-ene-1,2,3-tricarboxylate (CAS 7568-58-3) is a chemical compound with molecular formula C18H30O6 and molecular weight 342.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributyl prop-1-ene-1,2,3-tricarboxylate
Also Known As: Tributyl aconitate, Tributyl prop-1-ene-1,2,3-tricarboxylate, Aconitic acid, tributyl ester, 1-Propene-1,2,3-tricarboxylic acid, tributyl ester, 1,2,3-tributyl prop-1-ene-1,2,3-tricarboxylate
| Molecular Formula | C18H30O6 |
|---|---|
| Molecular Weight | 342.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 342.20422 |
| Heavy Atoms | 24 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 7568-58-3 |
|---|---|
| SMILES | CCCCOC(=O)CC(=CC(=O)OCCCC)C(=O)OCCCC |
| InChIKey | BANLNYYTSYHBAP-UHFFFAOYSA-N |
Product Overview
Tributyl prop-1-ene-1,2,3-tricarboxylate (CAS 7568-58-3), with molecular formula C18H30O6 and molecular weight 342.20 g/mol. IUPAC: tributyl prop-1-ene-1,2,3-tricarboxylate.
Chemical Property Profile of Tributyl prop-1-ene-1,2,3-tricarboxylate
Property Insights of Tributyl prop-1-ene-1,2,3-tricarboxylate
The XLogP value of 3.8 indicates that Tributyl prop-1-ene-1,2,3-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tributyl prop-1-ene-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Tributyl prop-1-ene-1,2,3-tricarboxylate has 0 hydrogen bond donor(s) and 6 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 Tributyl prop-1-ene-1,2,3-tricarboxylate?
The CAS number of Tributyl prop-1-ene-1,2,3-tricarboxylate is 7568-58-3.
What is the molecular formula of Tributyl prop-1-ene-1,2,3-tricarboxylate?
The molecular formula of Tributyl prop-1-ene-1,2,3-tricarboxylate is C18H30O6.
What is the molecular weight of Tributyl prop-1-ene-1,2,3-tricarboxylate?
The molecular weight of Tributyl prop-1-ene-1,2,3-tricarboxylate is 342.20 g/mol.
Where can I buy Tributyl prop-1-ene-1,2,3-tricarboxylate?
You can request a quote for Tributyl prop-1-ene-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tributyl prop-1-ene-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tributyl prop-1-ene-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.