4-氧代丁-1-烯-1,2,4-三甲酸
TL;DR: 4-氧代丁-1-烯-1,2,4-三甲酸 (CAS 85179-60-8) is a chemical compound with molecular formula C7H6O7 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代丁-1-烯-1,2,4-三甲酸
4-oxobut-1-ene-1,2,4-tricarboxylic acid
Also Known As: 4-Oxalomesaconate, 4-oxobut-1-ene-1,2,4-tricarboxylic acid, 1-Butene-1,2,4-tricarboxylicacid, 4-oxo-, (1E)-
| Molecular Formula | C7H6O7 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.01135 |
| Heavy Atoms | 14 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 85179-60-8 |
|---|---|
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)C(=O)O |
| InChIKey | ODTDYYZJDQGKQT-UHFFFAOYSA-N |
Product Overview
4-氧代丁-1-烯-1,2,4-三甲酸 (CAS 85179-60-8), with molecular formula C7H6O7 and molecular weight 202.01 g/mol. IUPAC: 4-oxobut-1-ene-1,2,4-tricarboxylic acid.
Chemical Property Profile of 4-氧代丁-1-烯-1,2,4-三甲酸
Property Insights of 4-氧代丁-1-烯-1,2,4-三甲酸
The XLogP value of -1.1 indicates that 4-氧代丁-1-烯-1,2,4-三甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代丁-1-烯-1,2,4-三甲酸. Following Lipinski's Rule of Five, 4-氧代丁-1-烯-1,2,4-三甲酸 has 3 hydrogen bond donor(s) and 7 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 4-氧代丁-1-烯-1,2,4-三甲酸?
The CAS number of 4-氧代丁-1-烯-1,2,4-三甲酸 is 85179-60-8.
What is the molecular formula of 4-氧代丁-1-烯-1,2,4-三甲酸?
The molecular formula of 4-氧代丁-1-烯-1,2,4-三甲酸 is C7H6O7.
What is the molecular weight of 4-氧代丁-1-烯-1,2,4-三甲酸?
The molecular weight of 4-氧代丁-1-烯-1,2,4-三甲酸 is 202.01 g/mol.
Where can I buy 4-氧代丁-1-烯-1,2,4-三甲酸?
You can request a quote for 4-氧代丁-1-烯-1,2,4-三甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代丁-1-烯-1,2,4-三甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代丁-1-烯-1,2,4-三甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.