丁-2-烯-1,2,3-三甲酸
TL;DR: 丁-2-烯-1,2,3-三甲酸 (CAS 89856-34-8) 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.
丁-2-烯-1,2,3-三甲酸
but-2-ene-1,2,3-tricarboxylic acid
Also Known As: methylaconitic acid, alpha-Methylaconitate, alpha-Methyl-cis-aconitate, but-2-ene-1,2,3-tricarboxylic acid, 2-Butene-1,2,3-tricarboxylic acid
| 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 | 4 |
| Exact Mass | 188.03209 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 89856-34-8 |
|---|---|
| SMILES | CC(=C(CC(=O)O)C(=O)O)C(=O)O |
| InChIKey | NUZLRKBHOBPTQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁-2-烯-1,2,3-三甲酸 (CAS 89856-34-8), with molecular formula C7H8O6 and molecular weight 188.03 g/mol. IUPAC: but-2-ene-1,2,3-tricarboxylic acid.
Chemical Property Profile of 丁-2-烯-1,2,3-三甲酸
Property Insights of 丁-2-烯-1,2,3-三甲酸
The XLogP value of -0.6 indicates that 丁-2-烯-1,2,3-三甲酸 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 丁-2-烯-1,2,3-三甲酸. Following Lipinski's Rule of Five, 丁-2-烯-1,2,3-三甲酸 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 丁-2-烯-1,2,3-三甲酸?
The CAS number of 丁-2-烯-1,2,3-三甲酸 is 89856-34-8.
What is the molecular formula of 丁-2-烯-1,2,3-三甲酸?
The molecular formula of 丁-2-烯-1,2,3-三甲酸 is C7H8O6.
What is the molecular weight of 丁-2-烯-1,2,3-三甲酸?
The molecular weight of 丁-2-烯-1,2,3-三甲酸 is 188.03 g/mol.
Where can I buy 丁-2-烯-1,2,3-三甲酸?
You can request a quote for 丁-2-烯-1,2,3-三甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁-2-烯-1,2,3-三甲酸?
Yes, KEHONG BIO provides custom synthesis services for 丁-2-烯-1,2,3-三甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.