1,3,4-Tri-O-galloylquinic acid
TL;DR: 1,3,4-Tri-O-galloylquinic acid (CAS 110082-89-8) is a chemical compound with molecular formula C28H24O18 and molecular weight 648.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Also Known As: 1,3,4-Tri-O-galloylquinic acid, Benzoic acid, 3,4,5-trihydroxy-, 4-carboxy-6-hydroxy-1,2,4-cyclohexanetriyl ester, (1R-(1alpha,2beta,4alpha,6alpha)-)-, (1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid, Benzoic acid,3,4,5-trihydroxy-, (1R,2R,4S,6R)-4-carboxy-6-hydroxy-1,2,4-cyclohexanetriylester, (1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
| Molecular Formula | C28H24O18 |
|---|---|
| Molecular Weight | 648.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 319.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 648.09625 |
| Heavy Atoms | 46 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 110082-89-8 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| InChIKey | MFFWGSMFANTCDY-LGFATHPOSA-N |
Product Overview
1,3,4-Tri-O-galloylquinic acid (CAS 110082-89-8), with molecular formula C28H24O18 and molecular weight 648.10 g/mol. IUPAC: (1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 1,3,4-Tri-O-galloylquinic acid
Property Insights of 1,3,4-Tri-O-galloylquinic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Tri-O-galloylquinic acid. The TPSA of 319.0 Ų indicates high polarity, suggesting 1,3,4-Tri-O-galloylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4-Tri-O-galloylquinic acid has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,4-Tri-O-galloylquinic acid?
The CAS number of 1,3,4-Tri-O-galloylquinic acid is 110082-89-8.
What is the molecular formula of 1,3,4-Tri-O-galloylquinic acid?
The molecular formula of 1,3,4-Tri-O-galloylquinic acid is C28H24O18.
What is the molecular weight of 1,3,4-Tri-O-galloylquinic acid?
The molecular weight of 1,3,4-Tri-O-galloylquinic acid is 648.10 g/mol.
Where can I buy 1,3,4-Tri-O-galloylquinic acid?
You can request a quote for 1,3,4-Tri-O-galloylquinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Tri-O-galloylquinic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Tri-O-galloylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.