Tri-O-thymotide
TL;DR: Tri-O-thymotide (CAS 4399-52-4) is a chemical compound with molecular formula C33H36O6 and molecular weight 528.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-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: Tri-O-thymotide, Cyclic trilactone of o-thymotic acid, 5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-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, 1,7,13-trimethyl-4,10,16-tri(propan-2-yl)-6H,12H,18H-tribenzo[b,f,j][1,5,9]trioxacyclododecine-6,12,18-trione, 4,10,16-triisopropyl-1,7,13-trimethyl-6H-tribenzo[b,f,j][1,5,9]trioxacyclododecine-6,12,18-trione
| Molecular Formula | C33H36O6 |
|---|---|
| Molecular Weight | 528.25 g/mol |
| LogP | 7.95306 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 528.25116 |
| Heavy Atoms | 39 |
| Complexity | 1313.2625 |
Chemical Identifiers
| CAS Number | 4399-52-4 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(C)C)OC(=O)C3=C(C=CC(=C3OC(=O)C4=C(C=CC(=C4OC2=O)C(C)C)C)C(C)C)C |
Product Overview
Tri-O-thymotide (CAS 4399-52-4), with molecular formula C33H36O6 and molecular weight 528.25 g/mol. IUPAC: 5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-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 Tri-O-thymotide
Property Insights of Tri-O-thymotide
The XLogP value of 7.95306 indicates that Tri-O-thymotide 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 Tri-O-thymotide. Following Lipinski's Rule of Five, Tri-O-thymotide 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 Tri-O-thymotide?
The CAS number of Tri-O-thymotide is 4399-52-4.
What is the molecular formula of Tri-O-thymotide?
The molecular formula of Tri-O-thymotide is C33H36O6.
What is the molecular weight of Tri-O-thymotide?
The molecular weight of Tri-O-thymotide is 528.25 g/mol.
Where can I buy Tri-O-thymotide?
You can request a quote for Tri-O-thymotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-O-thymotide?
Yes, KEHONG BIO provides custom synthesis services for Tri-O-thymotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.