金精三羧酸
TL;DR: 金精三羧酸 (CAS 4431-00-9) is a chemical compound with molecular formula C22H14O9 and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
金精三羧酸
5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
Also Known As: aurintricarboxylic acid, Aluminon free acid, Aluminon, aurin tricarboxylic acid, Dupont ATA
| Molecular Formula | C22H14O9 |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.06378 |
| Heavy Atoms | 31 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 4431-00-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O |
| InChIKey | GIXWDMTZECRIJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
金精三羧酸 (CAS 4431-00-9), with molecular formula C22H14O9 and molecular weight 422.06 g/mol. IUPAC: 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid.
Chemical Property Profile of 金精三羧酸
Property Insights of 金精三羧酸
The XLogP value of 4.3 indicates that 金精三羧酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting 金精三羧酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 金精三羧酸 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 金精三羧酸?
The CAS number of 金精三羧酸 is 4431-00-9.
What is the molecular formula of 金精三羧酸?
The molecular formula of 金精三羧酸 is C22H14O9.
What is the molecular weight of 金精三羧酸?
The molecular weight of 金精三羧酸 is 422.06 g/mol.
Where can I buy 金精三羧酸?
You can request a quote for 金精三羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 金精三羧酸?
Yes, KEHONG BIO provides custom synthesis services for 金精三羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.