![Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate structure](/static/products/329/329931-89-7.png)
Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
TL;DR: Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate (CAS 329931-89-7) is a chemical compound with molecular formula C19H18FN3O5 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Also Known As: BAS 00856709, methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate, methyl 3-(4-(4-fluorophenyl)piperazine-1-carbonyl)-5-nitrobenzoate, methyl 3-{[4-(4-fluorophenyl)piperazinyl]carbonyl}-5-nitrobenzoate, methyl 3-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}-5-nitrobenzoate
| Molecular Formula | C19H18FN3O5 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.4829 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12305 |
| Heavy Atoms | 28 |
| Complexity | 908.28516 |
Chemical Identifiers
| CAS Number | 329931-89-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-] |
Product Overview
Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate (CAS 329931-89-7), with molecular formula C19H18FN3O5 and molecular weight 387.12 g/mol. IUPAC: methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Property Insights of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate
The XLogP value of 2.4829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate is 329931-89-7.
What is the molecular formula of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate is C19H18FN3O5.
What is the molecular weight of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate is 387.12 g/mol.
Where can I buy Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.