Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate
TL;DR: Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate (CAS 794556-68-6) is a chemical compound with molecular formula C15H19F2N3O3 and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
Also Known As: ETHYL 4-((N-(2,4-DIFLUOROPHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE, ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazine-1-carboxylate, Ethyl 4-(2-((2,4-difluorophenyl)amino)-2-oxoethyl)piperazine-1-carboxylate, Ethyl 4-[(2,4-difluorophenyl)carbamoylmethyl]piperazine-1-carboxylate, ethyl 4-[2-(2,4-difluoroanilino)-2-oxo-ethyl]piperazine-1-carboxylate
| Molecular Formula | C15H19F2N3O3 |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 1.6774 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.13943 |
| Heavy Atoms | 23 |
| Complexity | 575.0856 |
Chemical Identifiers
| CAS Number | 794556-68-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)F)F |
Product Overview
Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate (CAS 794556-68-6), with molecular formula C15H19F2N3O3 and molecular weight 327.14 g/mol. IUPAC: ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate
Property Insights of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate
The XLogP value of 1.6774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-((N-(2,4-difluorophenyl)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-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate?
The CAS number of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate is 794556-68-6.
What is the molecular formula of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate?
The molecular formula of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate is C15H19F2N3O3.
What is the molecular weight of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate?
The molecular weight of Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate is 327.14 g/mol.
Where can I buy Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate?
You can request a quote for Ethyl 4-((N-(2,4-difluorophenyl)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-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((N-(2,4-difluorophenyl)carbamoyl)methyl)piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.