1,2,4-Butanetricarboxylic acid
TL;DR: 1,2,4-Butanetricarboxylic acid (CAS 923-42-2) is a chemical compound with molecular formula C7H10O6 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,2,4-tricarboxylic acid
Also Known As: 1,2,4-Butanetricarboxylic acid, butane-1,2,4-tricarboxylic acid, carboxylate, 42, 1,2,4-Butanetricarboxylicacid, 3-Carboxyadipic acid
| Molecular Formula | C7H10O6 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.04774 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 923-42-2 |
|---|---|
| SMILES | C(CC(=O)O)C(CC(=O)O)C(=O)O |
| InChIKey | LOGBRYZYTBQBTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Butanetricarboxylic acid (CAS 923-42-2), with molecular formula C7H10O6 and molecular weight 190.05 g/mol. IUPAC: butane-1,2,4-tricarboxylic acid.
Chemical Property Profile of 1,2,4-Butanetricarboxylic acid
Property Insights of 1,2,4-Butanetricarboxylic acid
The XLogP value of -0.9 indicates that 1,2,4-Butanetricarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Butanetricarboxylic acid. Following Lipinski's Rule of Five, 1,2,4-Butanetricarboxylic acid has 3 hydrogen bond donor(s) and 6 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 1,2,4-Butanetricarboxylic acid?
The CAS number of 1,2,4-Butanetricarboxylic acid is 923-42-2.
What is the molecular formula of 1,2,4-Butanetricarboxylic acid?
The molecular formula of 1,2,4-Butanetricarboxylic acid is C7H10O6.
What is the molecular weight of 1,2,4-Butanetricarboxylic acid?
The molecular weight of 1,2,4-Butanetricarboxylic acid is 190.05 g/mol.
Where can I buy 1,2,4-Butanetricarboxylic acid?
You can request a quote for 1,2,4-Butanetricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Butanetricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Butanetricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.