1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
TL;DR: 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate (CAS 84864-66-4) is a chemical compound with molecular formula C37H62O6 and molecular weight 602.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
Also Known As: EINECS 284-389-4, 1,2-Didecyl 4-octyl benzene-1,2,4-tricarboxylate, 1,2,4-Benzenetricarboxylic acid 1,2-didecyl 4-octyl ester, 1,2,4-Benzenetricarboxylicacid, 1,2-didecyl 4-octyl ester, 1,2-BIS(DECYL) 4-OCTYL BENZENE-1,2,4-TRICARBOXYLATE
| Molecular Formula | C37H62O6 |
|---|---|
| Molecular Weight | 602.45 g/mol |
| LogP | 10.7989 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 602.45465 |
| Heavy Atoms | 43 |
| Complexity | 864.6642 |
Chemical Identifiers
| CAS Number | 84864-66-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCCCC |
Product Overview
1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate (CAS 84864-66-4), with molecular formula C37H62O6 and molecular weight 602.45 g/mol. IUPAC: 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
Property Insights of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
The XLogP value of 10.7989 indicates that 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-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 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate?
The CAS number of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate is 84864-66-4.
What is the molecular formula of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate?
The molecular formula of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate is C37H62O6.
What is the molecular weight of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate?
The molecular weight of 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate is 602.45 g/mol.
Where can I buy 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate?
You can request a quote for 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.