ATA fraction 8, ammonium salt
TL;DR: ATA fraction 8, ammonium salt (CAS 13017-60-2) is a chemical compound with molecular formula C22H16O9 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
Also Known As: TriCOOHtriOHPhMe, ATA fraction 8, ammonium salt, ATA fraction 8,ammonium salt, Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, 3,3',3''-Methylidynetris(6-hydroxybenzoic acid)
| Molecular Formula | C22H16O9 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.07944 |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 13017-60-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O |
| InChIKey | WDHMZEQRWAWXPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ATA fraction 8, ammonium salt (CAS 13017-60-2), with molecular formula C22H16O9 and molecular weight 424.08 g/mol. IUPAC: 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid.
Chemical Property Profile of ATA fraction 8, ammonium salt
Property Insights of ATA fraction 8, ammonium salt
The XLogP value of 4.5 indicates that ATA fraction 8, ammonium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting ATA fraction 8, ammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ATA fraction 8, ammonium salt has 6 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 ATA fraction 8, ammonium salt?
The CAS number of ATA fraction 8, ammonium salt is 13017-60-2.
What is the molecular formula of ATA fraction 8, ammonium salt?
The molecular formula of ATA fraction 8, ammonium salt is C22H16O9.
What is the molecular weight of ATA fraction 8, ammonium salt?
The molecular weight of ATA fraction 8, ammonium salt is 424.08 g/mol.
Where can I buy ATA fraction 8, ammonium salt?
You can request a quote for ATA fraction 8, ammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATA fraction 8, ammonium salt?
Yes, KEHONG BIO provides custom synthesis services for ATA fraction 8, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.