2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate
TL;DR: 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate (CAS 318466-06-7) is a chemical compound with molecular formula C21H31NO6 and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 1-O,1-O-diethyl 2-(3,4-dimethylanilino)ethane-1,1,2-tricarboxylate
Also Known As: 3P-075, 2-(tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate, 2-O-tert-butyl 1-O,1-O-diethyl 2-(3,4-dimethylanilino)ethane-1,1,2-tricarboxylate, 1-tert-butyl 2,2-diethyl 1-[(3,4-dimethylphenyl)amino]ethane-1,2,2-tricarboxylate, 1-tert-butyl2,2-diethyl1-[(3,4-dimethylphenyl)amino]ethane-1,2,2-tricarboxylate
| Molecular Formula | C21H31NO6 |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 3.16804 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.21515 |
| Heavy Atoms | 28 |
| Complexity | 689.33765 |
Chemical Identifiers
| CAS Number | 318466-06-7 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)OC(C)(C)C)NC1=CC(=C(C=C1)C)C)C(=O)OCC |
Product Overview
2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate (CAS 318466-06-7), with molecular formula C21H31NO6 and molecular weight 393.22 g/mol. IUPAC: 2-O-tert-butyl 1-O,1-O-diethyl 2-(3,4-dimethylanilino)ethane-1,1,2-tricarboxylate.
Chemical Property Profile of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate
Property Insights of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate
The XLogP value of 3.16804 indicates that 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate. Following Lipinski's Rule of Five, 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate has 1 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 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate?
The CAS number of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate is 318466-06-7.
What is the molecular formula of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate?
The molecular formula of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate is C21H31NO6.
What is the molecular weight of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate?
The molecular weight of 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate is 393.22 g/mol.
Where can I buy 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate?
You can request a quote for 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl) 1,1-diethyl 2-(3,4-dimethylanilino)-1,1,2-ethanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.