Nuezhenide
TL;DR: Nuezhenide (CAS 449733-84-0) is a chemical compound with molecular formula C31H42O17 and molecular weight 686.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Also Known As: Nuezhenide, Specnuezhenide, Nuzhenide, Specneuzhenide, NUEZHENIDE (REFERENCE GRADE)
| Molecular Formula | C31H42O17 |
|---|---|
| Molecular Weight | 686.24 g/mol |
| LogP | -2.5156 |
| Topological Polar Surface Area | 260.59 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 686.2422 |
| Heavy Atoms | 48 |
| Complexity | 1282.0967 |
Chemical Identifiers
| CAS Number | 449733-84-0 |
|---|---|
| SMILES | C/C=C\1/[C@@H](OC=C(C1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)O)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Nuezhenide (CAS 449733-84-0), with molecular formula C31H42O17 and molecular weight 686.24 g/mol. IUPAC: methyl (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate.
Chemical Property Profile of Nuezhenide
Property Insights of Nuezhenide
The XLogP value of -2.5156 indicates that Nuezhenide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.59 Ų indicates high polarity, suggesting Nuezhenide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nuezhenide has 8 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 Nuezhenide?
The CAS number of Nuezhenide is 449733-84-0.
What is the molecular formula of Nuezhenide?
The molecular formula of Nuezhenide is C31H42O17.
What is the molecular weight of Nuezhenide?
The molecular weight of Nuezhenide is 686.24 g/mol.
Where can I buy Nuezhenide?
You can request a quote for Nuezhenide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nuezhenide?
Yes, KEHONG BIO provides custom synthesis services for Nuezhenide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.