Triethyl nitrilotricarboxylate
TL;DR: Triethyl nitrilotricarboxylate (CAS 3206-31-3) is a chemical compound with molecular formula C9H15NO6 and molecular weight 233.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N,N-bis(ethoxycarbonyl)carbamate
Also Known As: Triethyl nitrilotricarboxylate, ethyl N,N-bis(ethoxycarbonyl)carbamate, triethylnitrilotricarboxylate, NCIOpen2_002983, Nitrilotriformic acid triethyl ester
| Molecular Formula | C9H15NO6 |
|---|---|
| Molecular Weight | 233.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 233.08994 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3206-31-3 |
|---|---|
| SMILES | CCOC(=O)N(C(=O)OCC)C(=O)OCC |
| InChIKey | WMXDFLUIDJYHMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethyl nitrilotricarboxylate (CAS 3206-31-3), with molecular formula C9H15NO6 and molecular weight 233.09 g/mol. IUPAC: ethyl N,N-bis(ethoxycarbonyl)carbamate.
Chemical Property Profile of Triethyl nitrilotricarboxylate
Property Insights of Triethyl nitrilotricarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl nitrilotricarboxylate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl nitrilotricarboxylate. Following Lipinski's Rule of Five, Triethyl nitrilotricarboxylate 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 Triethyl nitrilotricarboxylate?
The CAS number of Triethyl nitrilotricarboxylate is 3206-31-3.
What is the molecular formula of Triethyl nitrilotricarboxylate?
The molecular formula of Triethyl nitrilotricarboxylate is C9H15NO6.
What is the molecular weight of Triethyl nitrilotricarboxylate?
The molecular weight of Triethyl nitrilotricarboxylate is 233.09 g/mol.
Where can I buy Triethyl nitrilotricarboxylate?
You can request a quote for Triethyl nitrilotricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl nitrilotricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl nitrilotricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.