Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate (CAS 349092-93-9) is a chemical compound with molecular formula C15H19N3O5 and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate
Also Known As: ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate, F1677-0114, ethyl 4-(3-nitro-2-toluoyl)-1-piperazinecarboxylate, ethyl 4-[(2-methyl-3-nitrophenyl)carbonyl]piperazinecarboxylate
| Molecular Formula | C15H19N3O5 |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 1.81752 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.13248 |
| Heavy Atoms | 23 |
| Complexity | 623.5384 |
Chemical Identifiers
| CAS Number | 349092-93-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate (CAS 349092-93-9), with molecular formula C15H19N3O5 and molecular weight 321.13 g/mol. IUPAC: ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate
The XLogP value of 1.81752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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-methyl-3-nitrobenzoyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate is 349092-93-9.
What is the molecular formula of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate is C15H19N3O5.
What is the molecular weight of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate is 321.13 g/mol.
Where can I buy Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate 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-methyl-3-nitrobenzoyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-methyl-3-nitrobenzoyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.