Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
TL;DR: Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate (CAS 91643-97-9) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
Also Known As: methyl 4-(4-nitrophenyl)piperazine-1-carboxylate, BIM-0016092.P001, methyl 4-(4-nitrophenyl)-1-piperazinecarboxylate, methyl 4-(4-nitrophenyl)piperazinecarboxylate
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 1.4832 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 466.36777 |
Chemical Identifiers
| CAS Number | 91643-97-9 |
|---|---|
| SMILES | COC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate (CAS 91643-97-9), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: methyl 4-(4-nitrophenyl)piperazine-1-carboxylate.
Chemical Property Profile of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
Property Insights of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
The XLogP value of 1.4832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(4-nitrophenyl)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 Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate?
The CAS number of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate is 91643-97-9.
What is the molecular formula of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate?
The molecular formula of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate is C12H15N3O4.
What is the molecular weight of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate?
The molecular weight of Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate is 265.11 g/mol.
Where can I buy Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate?
You can request a quote for Methyl 4-(4-nitrophenyl)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 Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-nitrophenyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.