Trimethyl 4-oxo-1,2,4-butanetricarboxylate
TL;DR: Trimethyl 4-oxo-1,2,4-butanetricarboxylate (CAS 906441-53-0) is a chemical compound with molecular formula C10H14O7 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 4-oxobutane-1,2,4-tricarboxylate
Also Known As: Trimethyl 4-oxo-1,2,4-butanetricarboxylate, trimethyl 4-oxobutane-1,2,4-tricarboxylate, NCI60_016347, 1,2,4-Butanetricarboxylic acid, 4-oxo-, 1,2,4-trimethyl ester
| Molecular Formula | C10H14O7 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.07396 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 906441-53-0 |
|---|---|
| SMILES | COC(=O)CC(CC(=O)C(=O)OC)C(=O)OC |
| InChIKey | PRDNNRQMPWWYTB-UHFFFAOYSA-N |
Product Overview
Trimethyl 4-oxo-1,2,4-butanetricarboxylate (CAS 906441-53-0), with molecular formula C10H14O7 and molecular weight 246.07 g/mol. IUPAC: trimethyl 4-oxobutane-1,2,4-tricarboxylate.
Chemical Property Profile of Trimethyl 4-oxo-1,2,4-butanetricarboxylate
Property Insights of Trimethyl 4-oxo-1,2,4-butanetricarboxylate
The XLogP value of -0.4 indicates that Trimethyl 4-oxo-1,2,4-butanetricarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl 4-oxo-1,2,4-butanetricarboxylate. Following Lipinski's Rule of Five, Trimethyl 4-oxo-1,2,4-butanetricarboxylate has 0 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 Trimethyl 4-oxo-1,2,4-butanetricarboxylate?
The CAS number of Trimethyl 4-oxo-1,2,4-butanetricarboxylate is 906441-53-0.
What is the molecular formula of Trimethyl 4-oxo-1,2,4-butanetricarboxylate?
The molecular formula of Trimethyl 4-oxo-1,2,4-butanetricarboxylate is C10H14O7.
What is the molecular weight of Trimethyl 4-oxo-1,2,4-butanetricarboxylate?
The molecular weight of Trimethyl 4-oxo-1,2,4-butanetricarboxylate is 246.07 g/mol.
Where can I buy Trimethyl 4-oxo-1,2,4-butanetricarboxylate?
You can request a quote for Trimethyl 4-oxo-1,2,4-butanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl 4-oxo-1,2,4-butanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 4-oxo-1,2,4-butanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.