![Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate structure](/static/products/7082/708245-23-2.webp)
Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate
TL;DR: Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate (CAS 708245-23-2) is a chemical compound with molecular formula C19H20N4O5 and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]benzoate
Also Known As: methyl 2-(4-(4-nitrophenyl)piperazine-1-carboxamido)benzoate, methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate, methyl 2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]benzoate, methyl 2-({[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}amino)benzoate, METHYL 2-({[4-(4-NITROPHENYL)PIPERAZINO]CARBONYL}AMINO)BENZOATE
| Molecular Formula | C19H20N4O5 |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 2.7355 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.14337 |
| Heavy Atoms | 28 |
| Complexity | 876.14764 |
Chemical Identifiers
| CAS Number | 708245-23-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate (CAS 708245-23-2), with molecular formula C19H20N4O5 and molecular weight 384.14 g/mol. IUPAC: methyl 2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate
Property Insights of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate
The XLogP value of 2.7355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate. The TPSA of 105.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate has 1 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 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate?
The CAS number of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate is 708245-23-2.
What is the molecular formula of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate?
The molecular formula of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate is C19H20N4O5.
What is the molecular weight of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate?
The molecular weight of Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate is 384.14 g/mol.
Where can I buy Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate?
You can request a quote for Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-(4-nitrophenyl)piperazinyl]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.