Lonmiel
TL;DR: Lonmiel (CAS 91574-91-3) is a chemical compound with molecular formula C65H98ClN3O39 and molecular weight 1579.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;hydrochloride
Also Known As: Lonmiel, Ulgut, Benexate cyclodextrin, Ulgut (TN), TKG01 clathrate cpd.
| Molecular Formula | C65H98ClN3O39 |
|---|---|
| Molecular Weight | 1579.55 g/mol |
| LogP | -11.78 |
| Topological Polar Surface Area | 671.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 40 |
| Rotatable Bonds | 16 |
| Exact Mass | 1579.5466 |
| Heavy Atoms | 108 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 91574-91-3 |
|---|---|
| SMILES | C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O.Cl |
| InChIKey | GXDHQWGMXDZDKO-QEJSXMIFSA-N |
Product Overview
Lonmiel (CAS 91574-91-3), with molecular formula C65H98ClN3O39 and molecular weight 1579.55 g/mol. IUPAC: benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;hydrochloride.
Chemical Property Profile of Lonmiel
Property Insights of Lonmiel
The XLogP value of -11.78 indicates that Lonmiel is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 671.0 Ų indicates high polarity, suggesting Lonmiel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lonmiel has 24 hydrogen bond donor(s) and 40 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lonmiel?
The CAS number of Lonmiel is 91574-91-3.
What is the molecular formula of Lonmiel?
The molecular formula of Lonmiel is C65H98ClN3O39.
What is the molecular weight of Lonmiel?
The molecular weight of Lonmiel is 1579.55 g/mol.
Where can I buy Lonmiel?
You can request a quote for Lonmiel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lonmiel?
Yes, KEHONG BIO provides custom synthesis services for Lonmiel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.