Trimethyl butane-1,2,4-tricarboxylate
TL;DR: Trimethyl butane-1,2,4-tricarboxylate (CAS 4339-27-9) is a chemical compound with molecular formula C10H16O6 and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl butane-1,2,4-tricarboxylate
Also Known As: Trimethyl butane-1,2,4-tricarboxylate, 1,2,4-tricarbomethoxy butane, Dimethyl 3-(methoxycarbonyl)hexanediate, trimethyl 1,2,4-butanetri-carboxylate, Trimethyl 1,2,4-butanetricarboxylate #
| Molecular Formula | C10H16O6 |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.09468 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 4339-27-9 |
|---|---|
| SMILES | COC(=O)CCC(CC(=O)OC)C(=O)OC |
| InChIKey | DVHJCQNSPXZHEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethyl butane-1,2,4-tricarboxylate (CAS 4339-27-9), with molecular formula C10H16O6 and molecular weight 232.09 g/mol. IUPAC: trimethyl butane-1,2,4-tricarboxylate.
Chemical Property Profile of Trimethyl butane-1,2,4-tricarboxylate
Property Insights of Trimethyl butane-1,2,4-tricarboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl butane-1,2,4-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl butane-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, Trimethyl butane-1,2,4-tricarboxylate has 0 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 Trimethyl butane-1,2,4-tricarboxylate?
The CAS number of Trimethyl butane-1,2,4-tricarboxylate is 4339-27-9.
What is the molecular formula of Trimethyl butane-1,2,4-tricarboxylate?
The molecular formula of Trimethyl butane-1,2,4-tricarboxylate is C10H16O6.
What is the molecular weight of Trimethyl butane-1,2,4-tricarboxylate?
The molecular weight of Trimethyl butane-1,2,4-tricarboxylate is 232.09 g/mol.
Where can I buy Trimethyl butane-1,2,4-tricarboxylate?
You can request a quote for Trimethyl butane-1,2,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl butane-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl butane-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.