3-Butene-1,2,3-tricarboxylic acid
TL;DR: 3-Butene-1,2,3-tricarboxylic acid (CAS 26326-05-6) is a chemical compound with molecular formula C7H8O6 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ene-1,2,3-tricarboxylic acid
Also Known As: but-3-ene-1,2,3-tricarboxylic acid, 3-Butene-1,2,3-tricarboxylic acid, Boc-Val-OH, 1-Butene-2,3,4-Tricarboxylic Acid, 3-Butene-1,2,3-tricarboxylicacid
| Molecular Formula | C7H8O6 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.03209 |
| Heavy Atoms | 13 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 26326-05-6 |
|---|---|
| SMILES | C=C(C(CC(=O)O)C(=O)O)C(=O)O |
| InChIKey | WOZHZOLFFPSEAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butene-1,2,3-tricarboxylic acid (CAS 26326-05-6), with molecular formula C7H8O6 and molecular weight 188.03 g/mol. IUPAC: but-3-ene-1,2,3-tricarboxylic acid.
Chemical Property Profile of 3-Butene-1,2,3-tricarboxylic acid
Property Insights of 3-Butene-1,2,3-tricarboxylic acid
The XLogP value of -0.6 indicates that 3-Butene-1,2,3-tricarboxylic 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 3-Butene-1,2,3-tricarboxylic acid. Following Lipinski's Rule of Five, 3-Butene-1,2,3-tricarboxylic 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 3-Butene-1,2,3-tricarboxylic acid?
The CAS number of 3-Butene-1,2,3-tricarboxylic acid is 26326-05-6.
What is the molecular formula of 3-Butene-1,2,3-tricarboxylic acid?
The molecular formula of 3-Butene-1,2,3-tricarboxylic acid is C7H8O6.
What is the molecular weight of 3-Butene-1,2,3-tricarboxylic acid?
The molecular weight of 3-Butene-1,2,3-tricarboxylic acid is 188.03 g/mol.
Where can I buy 3-Butene-1,2,3-tricarboxylic acid?
You can request a quote for 3-Butene-1,2,3-tricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butene-1,2,3-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Butene-1,2,3-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.