4-Cinnamoylmussatioside
TL;DR: 4-Cinnamoylmussatioside (CAS 110219-94-8) is a chemical compound with molecular formula C34H44O16 and molecular weight 708.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] 3-phenylprop-2-enoate
Also Known As: 4-Cinnamoylmussatioside, 4'-Cinnamoylmussatioside, [(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate, [5-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] 3-phenylprop-2-enoate, I(2)-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-I(2)-D-xylopyranosyl-(1a3)-O-6-deoxy-4-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-I+/--L-mannopyranosyl-(1a6)-
| Molecular Formula | C34H44O16 |
|---|---|
| Molecular Weight | 708.26 g/mol |
| LogP | -1.6694 |
| Topological Polar Surface Area | 243.52 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 708.26294 |
| Heavy Atoms | 50 |
| Complexity | 1377.0721 |
Chemical Identifiers
| CAS Number | 110219-94-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)OC4C(C(C(CO4)O)O)O)OC(=O)C=CC5=CC=CC=C5 |
Product Overview
4-Cinnamoylmussatioside (CAS 110219-94-8), with molecular formula C34H44O16 and molecular weight 708.26 g/mol. IUPAC: [5-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] 3-phenylprop-2-enoate.
Chemical Property Profile of 4-Cinnamoylmussatioside
Property Insights of 4-Cinnamoylmussatioside
The XLogP value of -1.6694 indicates that 4-Cinnamoylmussatioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 243.52 Ų indicates high polarity, suggesting 4-Cinnamoylmussatioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Cinnamoylmussatioside has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Cinnamoylmussatioside?
The CAS number of 4-Cinnamoylmussatioside is 110219-94-8.
What is the molecular formula of 4-Cinnamoylmussatioside?
The molecular formula of 4-Cinnamoylmussatioside is C34H44O16.
What is the molecular weight of 4-Cinnamoylmussatioside?
The molecular weight of 4-Cinnamoylmussatioside is 708.26 g/mol.
Where can I buy 4-Cinnamoylmussatioside?
You can request a quote for 4-Cinnamoylmussatioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cinnamoylmussatioside?
Yes, KEHONG BIO provides custom synthesis services for 4-Cinnamoylmussatioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.