ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE
TL;DR: ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE (CAS 1023882-70-3) is a chemical compound with molecular formula C17H19F6N3O3 and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
Also Known As: ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE, ethyl 4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperazine-1-carboxylate, ethyl 4-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}methyl)piperazine-1-carboxylate, Ethyl 4-(2-((3,5-bis(trifluoromethyl)phenyl)amino)-2-oxoethyl)piperazine-1-carboxylate, Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylmethyl]piperazine-1-carboxylate
| Molecular Formula | C17H19F6N3O3 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 3.4368 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.13306 |
| Heavy Atoms | 29 |
| Complexity | 710.65936 |
Chemical Identifiers
| CAS Number | 1023882-70-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE (CAS 1023882-70-3), with molecular formula C17H19F6N3O3 and molecular weight 427.13 g/mol. IUPAC: ethyl 4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperazine-1-carboxylate.
Chemical Property Profile of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE
Property Insights of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE
The XLogP value of 3.4368 indicates that ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE. Following Lipinski's Rule of Five, ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)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-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE?
The CAS number of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE is 1023882-70-3.
What is the molecular formula of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE?
The molecular formula of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE is C17H19F6N3O3.
What is the molecular weight of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE?
The molecular weight of ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE is 427.13 g/mol.
Where can I buy ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE?
You can request a quote for ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)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-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-((N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.