Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate
TL;DR: Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate (CAS 58139-23-4) is a chemical compound with molecular formula C34H46O17 and molecular weight 726.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
Also Known As: Militarine, Militarin, Loroglossin, Militarine (Standard), Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate
| Molecular Formula | C34H46O17 |
|---|---|
| Molecular Weight | 726.27 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Exact Mass | 726.2735 |
| Heavy Atoms | 51 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 58139-23-4 |
|---|---|
| SMILES | CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChIKey | GQNUDXCKVPLQBI-KIQVUASESA-N |
Product Overview
Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate (CAS 58139-23-4), with molecular formula C34H46O17 and molecular weight 726.27 g/mol. IUPAC: bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate.
Chemical Property Profile of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate
Property Insights of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate
The XLogP value of -0.5 indicates that Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate?
The CAS number of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate is 58139-23-4.
What is the molecular formula of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate?
The molecular formula of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate is C34H46O17.
What is the molecular weight of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate?
The molecular weight of Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate is 726.27 g/mol.
Where can I buy Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate?
You can request a quote for Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.