Dinactin
TL;DR: Dinactin (CAS 20261-85-2) is a chemical compound with molecular formula C42H68O12 and molecular weight 764.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,5S,7R,10S,11S,14R,16S,19R,20S,23S,25R,28S,29S,32R,34S)-5,23-diethyl-2,11,14,20,29,32-hexamethyl-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: Dinactin, Antibiotic 170t, Akd-1C, Upjohn 170T (low melting), diethyl(hexamethyl)[?]tetrone
| Molecular Formula | C42H68O12 |
|---|---|
| Molecular Weight | 764.47 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 764.47107 |
| Heavy Atoms | 54 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 20261-85-2 |
|---|---|
| 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)C)C)CC)C)C)C |
| InChIKey | ZBDGIMZKOJALMU-MVWQHRGOSA-N |
Product Overview
Dinactin (CAS 20261-85-2), with molecular formula C42H68O12 and molecular weight 764.47 g/mol. IUPAC: (1R,2S,5S,7R,10S,11S,14R,16S,19R,20S,23S,25R,28S,29S,32R,34S)-5,23-diethyl-2,11,14,20,29,32-hexamethyl-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 Dinactin
Property Insights of Dinactin
The XLogP value of 7.7 indicates that Dinactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Dinactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinactin 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 Dinactin?
The CAS number of Dinactin is 20261-85-2.
What is the molecular formula of Dinactin?
The molecular formula of Dinactin is C42H68O12.
What is the molecular weight of Dinactin?
The molecular weight of Dinactin is 764.47 g/mol.
Where can I buy Dinactin?
You can request a quote for Dinactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinactin?
Yes, KEHONG BIO provides custom synthesis services for Dinactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.