![Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate structure](/static/products/879/879593-71-2.png)
Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate
TL;DR: Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate (CAS 879593-71-2) is a chemical compound with molecular formula C20H29N3O4 and molecular weight 375.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(3,3-dimethylbutanoylamino)benzoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(2-(3,3-dimethylbutanamido)benzoyl)piperazine-1-carboxylate, ethyl 4-[2-(3,3-dimethylbutanoylamino)benzoyl]piperazine-1-carboxylate, ethyl 4-({2-[(3,3-dimethylbutanoyl)amino]phenyl}carbonyl)piperazine-1-carboxylate, ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate, ETHYL 4-{2-[(3,3-DIMETHYLBUTANOYL)AMINO]BENZOYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C20H29N3O4 |
|---|---|
| Molecular Weight | 375.22 g/mol |
| LogP | 2.9756 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.21582 |
| Heavy Atoms | 27 |
| Complexity | 688.7124 |
Chemical Identifiers
| CAS Number | 879593-71-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CC(C)(C)C |
Product Overview
Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate (CAS 879593-71-2), with molecular formula C20H29N3O4 and molecular weight 375.22 g/mol. IUPAC: ethyl 4-[2-(3,3-dimethylbutanoylamino)benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate
Property Insights of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate
The XLogP value of 2.9756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate?
The CAS number of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate is 879593-71-2.
What is the molecular formula of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate?
The molecular formula of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate is C20H29N3O4.
What is the molecular weight of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate?
The molecular weight of Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate is 375.22 g/mol.
Where can I buy Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate?
You can request a quote for Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(3,3-dimethylbutanoylamino)phenyl]carbonyl}piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.