3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid
TL;DR: 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid (CAS 17048-39-4) is a chemical compound with molecular formula C20H16O12 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid
Also Known As: DIGALLOYL TRIOLEATE, 3,4-dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid, 3,4-Dihydroxy-5-{[3,4,5-tris(acetyloxy)benzoyl]oxy}benzoic acid
| Molecular Formula | C20H16O12 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.06418 |
| Heavy Atoms | 32 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 17048-39-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O |
| InChIKey | SJUICWRGMCUHTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid (CAS 17048-39-4), with molecular formula C20H16O12 and molecular weight 448.06 g/mol. IUPAC: 3,4-dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid.
Chemical Property Profile of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid
Property Insights of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid. The TPSA of 183.0 Ų indicates high polarity, suggesting 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid?
The CAS number of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid is 17048-39-4.
What is the molecular formula of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid?
The molecular formula of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid is C20H16O12.
What is the molecular weight of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid?
The molecular weight of 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid is 448.06 g/mol.
Where can I buy 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid?
You can request a quote for 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-5-(3,4,5-triacetyloxybenzoyl)oxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.