Loganin pentaacetate
TL;DR: Loganin pentaacetate (CAS 20586-11-2) is a chemical compound with molecular formula C27H36O15 and molecular weight 600.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Loganin pentaacetate, Loganin, pentaacetate, Loganin pentaacetic acid, methyl (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, (1S)-1alpha-(2-O,3-O,4-O,6-O-Tetraacetyl-beta-D-glucopyranosyloxy)-6alpha-acetoxy-7alpha-methyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
| Molecular Formula | C27H36O15 |
|---|---|
| Molecular Weight | 600.21 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 600.20544 |
| Heavy Atoms | 42 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 20586-11-2 |
|---|---|
| SMILES | C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | AEJMLRVPTZEQEF-HISSRJBZSA-N |
Product Overview
Loganin pentaacetate (CAS 20586-11-2), with molecular formula C27H36O15 and molecular weight 600.21 g/mol. IUPAC: methyl (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Loganin pentaacetate
Property Insights of Loganin pentaacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Loganin pentaacetate. The TPSA of 185.0 Ų indicates high polarity, suggesting Loganin pentaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Loganin pentaacetate has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Loganin pentaacetate?
The CAS number of Loganin pentaacetate is 20586-11-2.
What is the molecular formula of Loganin pentaacetate?
The molecular formula of Loganin pentaacetate is C27H36O15.
What is the molecular weight of Loganin pentaacetate?
The molecular weight of Loganin pentaacetate is 600.21 g/mol.
Where can I buy Loganin pentaacetate?
You can request a quote for Loganin pentaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Loganin pentaacetate?
Yes, KEHONG BIO provides custom synthesis services for Loganin pentaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.