Trinactin
TL;DR: Trinactin (CAS 7561-71-9) is a chemical compound with molecular formula C43H70O12 and molecular weight 778.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Also Known As: Trinactin, Akd-1D, 5,14,23-Tridemethyl-5,14,23-triethylnonactin, (1r,2r,5r,7r,10s,11s,14s,16s,19r,20r,23r,25r,28s,29s,32s,34s)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo(32.2.1.17,10.116,19.125,28)tetracontane-3,12,21,30-tetrone
| Molecular Formula | C43H70O12 |
|---|---|
| Molecular Weight | 778.49 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 778.48676 |
| Heavy Atoms | 55 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 7561-71-9 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)CC)C)CC)C)C)C |
| InChIKey | DFQMKYUSAALDDY-MQEBUAKTSA-N |
Product Overview
Trinactin (CAS 7561-71-9), with molecular formula C43H70O12 and molecular weight 778.49 g/mol. IUPAC: (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone.
Chemical Property Profile of Trinactin
Property Insights of Trinactin
The XLogP value of 8.2 indicates that Trinactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Trinactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinactin has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trinactin?
The CAS number of Trinactin is 7561-71-9.
What is the molecular formula of Trinactin?
The molecular formula of Trinactin is C43H70O12.
What is the molecular weight of Trinactin?
The molecular weight of Trinactin is 778.49 g/mol.
Where can I buy Trinactin?
You can request a quote for Trinactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trinactin?
Yes, KEHONG BIO provides custom synthesis services for Trinactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.