Secologanate
TL;DR: Secologanate (CAS 22864-93-3) is a chemical compound with molecular formula C16H22O10 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Also Known As: Secologanate, Secologanic acid, Secologansaeure, (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid, (2S)-3alpha-Ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-4alpha-(2-oxoethyl)-2H-pyran-5-carboxylic acid
| Molecular Formula | C16H22O10 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1213 |
| Heavy Atoms | 26 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 22864-93-3 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC=O |
| InChIKey | PUEUIRDVQIKCCG-ZASXJUAOSA-N |
Product Overview
Secologanate (CAS 22864-93-3), with molecular formula C16H22O10 and molecular weight 374.12 g/mol. IUPAC: (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid.
Chemical Property Profile of Secologanate
Property Insights of Secologanate
The XLogP value of -1.9 indicates that Secologanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Secologanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Secologanate has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Secologanate?
The CAS number of Secologanate is 22864-93-3.
What is the molecular formula of Secologanate?
The molecular formula of Secologanate is C16H22O10.
What is the molecular weight of Secologanate?
The molecular weight of Secologanate is 374.12 g/mol.
Where can I buy Secologanate?
You can request a quote for Secologanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secologanate?
Yes, KEHONG BIO provides custom synthesis services for Secologanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.