1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate
TL;DR: 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate (CAS 5807-21-6) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,1-O-diethyl 3-O-methyl propane-1,1,3-tricarboxylate
Also Known As: 1,1-diethyl 3-methyl propane-1,1,3-tricarboxylate, KST-1B5851, diethyl 2-(carbomethoxyethyl)malonate, diethyl [2-(4-acetoxyphenoxy)ethyl]phosphonate, 1,1-diethyl 3-methyl 1,1,3-propanetricarboxylate
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 5807-21-6 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=O)OC)C(=O)OCC |
| InChIKey | HRDIKQFHFOTXDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate (CAS 5807-21-6), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: 1-O,1-O-diethyl 3-O-methyl propane-1,1,3-tricarboxylate.
Chemical Property Profile of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate
Property Insights of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate. Following Lipinski's Rule of Five, 1,1-Diethyl 3-methyl propane-1,1,3-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-Diethyl 3-methyl propane-1,1,3-tricarboxylate?
The CAS number of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate is 5807-21-6.
What is the molecular formula of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate?
The molecular formula of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate is C11H18O6.
What is the molecular weight of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate?
The molecular weight of 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate is 246.11 g/mol.
Where can I buy 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate?
You can request a quote for 1,1-Diethyl 3-methyl propane-1,1,3-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-Diethyl 3-methyl propane-1,1,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethyl 3-methyl propane-1,1,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.