![Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate structure](/static/products/4513/451-31-0.webp)
Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
TL;DR: Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate (CAS 451-31-0) is a chemical compound with molecular formula C18H21F3N2O6 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate, Diethyl N-[4-(2,2,2-trifluoroacetamido)benzoyl]glutamate
| Molecular Formula | C18H21F3N2O6 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 418.13516 |
| Heavy Atoms | 29 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 451-31-0 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F |
| InChIKey | FCEXQGADOPSXFM-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate (CAS 451-31-0), with molecular formula C18H21F3N2O6 and molecular weight 418.14 g/mol. IUPAC: diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
Property Insights of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate. Following Lipinski's Rule of Five, Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate has 2 hydrogen bond donor(s) and 9 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 Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate?
The CAS number of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate is 451-31-0.
What is the molecular formula of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate?
The molecular formula of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate is C18H21F3N2O6.
What is the molecular weight of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate?
The molecular weight of Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate is 418.14 g/mol.
Where can I buy Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate?
You can request a quote for Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.