2-Cinnamoyl-1-galloylglucose
TL;DR: 2-Cinnamoyl-1-galloylglucose (CAS 791836-69-6) is a chemical compound with molecular formula C22H22O11 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Also Known As: 2-Cinnamoyl-1-galloylglucose, 1-O-Galloyl-2-O-cinnamoyl-glucose, 2-O-Cinnamoyl-glucogallin, 1-O-Galloyl-2-O-cinnamoylglucose, HY-N7963
| Molecular Formula | C22H22O11 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 0.0244 |
| Topological Polar Surface Area | 183.21 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1162 |
| Heavy Atoms | 33 |
| Complexity | 997.2522 |
Chemical Identifiers
| CAS Number | 791836-69-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O)O |
Product Overview
2-Cinnamoyl-1-galloylglucose (CAS 791836-69-6), with molecular formula C22H22O11 and molecular weight 462.12 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 2-Cinnamoyl-1-galloylglucose
Property Insights of 2-Cinnamoyl-1-galloylglucose
The XLogP value of 0.0244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cinnamoyl-1-galloylglucose. The TPSA of 183.21 Ų indicates high polarity, suggesting 2-Cinnamoyl-1-galloylglucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Cinnamoyl-1-galloylglucose has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cinnamoyl-1-galloylglucose?
The CAS number of 2-Cinnamoyl-1-galloylglucose is 791836-69-6.
What is the molecular formula of 2-Cinnamoyl-1-galloylglucose?
The molecular formula of 2-Cinnamoyl-1-galloylglucose is C22H22O11.
What is the molecular weight of 2-Cinnamoyl-1-galloylglucose?
The molecular weight of 2-Cinnamoyl-1-galloylglucose is 462.12 g/mol.
Where can I buy 2-Cinnamoyl-1-galloylglucose?
You can request a quote for 2-Cinnamoyl-1-galloylglucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cinnamoyl-1-galloylglucose?
Yes, KEHONG BIO provides custom synthesis services for 2-Cinnamoyl-1-galloylglucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.