1,1,2-Trimethyl ethane-1,1,2-tricarboxylate
TL;DR: 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate (CAS 41287-09-6) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl ethane-1,1,2-tricarboxylate
Also Known As: Trimethyl ethane-1,1,2-tricarboxylate, 2-Methoxycarbonyl-succinic acid dimethyl ester, 1,1,2-trimethyl ethane-1,1,2-tricarboxylate, 1,1,2-(tricarbomethoxy)ethane, DL-3-(1-NAPHTHYL)ALANINE
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 41287-09-6 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)C(=O)OC |
| InChIKey | CFXNPIZDNPUMFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2-Trimethyl ethane-1,1,2-tricarboxylate (CAS 41287-09-6), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: trimethyl ethane-1,1,2-tricarboxylate.
Chemical Property Profile of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate
Property Insights of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate. Following Lipinski's Rule of Five, 1,1,2-Trimethyl ethane-1,1,2-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 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate?
The CAS number of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate is 41287-09-6.
What is the molecular formula of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate?
The molecular formula of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate is C8H12O6.
What is the molecular weight of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate?
The molecular weight of 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate is 204.06 g/mol.
Where can I buy 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate?
You can request a quote for 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.