1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
TL;DR: 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid (CAS 53584-43-3) is a chemical compound with molecular formula C14H16O10 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
Also Known As: Theogallin, 5-Galloylquinic acid, 3-Galloylquinic acid, 3-O-Galloylquinic acid, 1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
| Molecular Formula | C14H16O10 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | -1.3399 |
| Topological Polar Surface Area | 184.98 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.07434 |
| Heavy Atoms | 24 |
| Complexity | 648.51416 |
Chemical Identifiers
| CAS Number | 53584-43-3 |
|---|---|
| SMILES | C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O |
Product Overview
1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid (CAS 53584-43-3), with molecular formula C14H16O10 and molecular weight 344.07 g/mol. IUPAC: 1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid.
Chemical Property Profile of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
Property Insights of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
The XLogP value of -1.3399 indicates that 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.98 Ų indicates high polarity, suggesting 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid has 7 hydrogen bond donor(s) and 9 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-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid?
The CAS number of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid is 53584-43-3.
What is the molecular formula of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid?
The molecular formula of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid is C14H16O10.
What is the molecular weight of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid?
The molecular weight of 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid is 344.07 g/mol.
Where can I buy 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid?
You can request a quote for 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic 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-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.