Trisalicylide
TL;DR: Trisalicylide (CAS 5981-18-0) is a chemical compound with molecular formula C21H12O6 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
Also Known As: Trisalicylide, Trisalicylate, Trisalicylid, Deferasirox Impurity 24, 2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
| Molecular Formula | C21H12O6 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.6576 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 360.0634 |
| Heavy Atoms | 27 |
| Complexity | 932.8238 |
Chemical Identifiers
| CAS Number | 5981-18-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC3=CC=CC=C3C(=O)OC4=CC=CC=C4C(=O)O2 |
Product Overview
Trisalicylide (CAS 5981-18-0), with molecular formula C21H12O6 and molecular weight 360.06 g/mol. IUPAC: 2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione.
Chemical Property Profile of Trisalicylide
Property Insights of Trisalicylide
The XLogP value of 3.6576 indicates that Trisalicylide 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 Trisalicylide. Following Lipinski's Rule of Five, Trisalicylide 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 Trisalicylide?
The CAS number of Trisalicylide is 5981-18-0.
What is the molecular formula of Trisalicylide?
The molecular formula of Trisalicylide is C21H12O6.
What is the molecular weight of Trisalicylide?
The molecular weight of Trisalicylide is 360.06 g/mol.
Where can I buy Trisalicylide?
You can request a quote for Trisalicylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisalicylide?
Yes, KEHONG BIO provides custom synthesis services for Trisalicylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.