Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate
TL;DR: Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate (CAS 328284-53-3) is a chemical compound with molecular formula C19H19N3O5 and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate
Also Known As: BAS 00856710, BIM-0029532.P001, methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate, methyl 5-nitro-3-[(4-phenylpiperazinyl)carbonyl]benzoate, 3-Nitro-5-(4-phenyl-piperazine-1-carbonyl)-benzoic acid methyl ester
| Molecular Formula | C19H19N3O5 |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 2.3438 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.13248 |
| Heavy Atoms | 27 |
| Complexity | 860.90375 |
Chemical Identifiers
| CAS Number | 328284-53-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate (CAS 328284-53-3), with molecular formula C19H19N3O5 and molecular weight 369.13 g/mol. IUPAC: methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate.
Chemical Property Profile of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate
Property Insights of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate
The XLogP value of 2.3438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate 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-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate?
The CAS number of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate is 328284-53-3.
What is the molecular formula of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate?
The molecular formula of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate is C19H19N3O5.
What is the molecular weight of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate?
The molecular weight of Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate is 369.13 g/mol.
Where can I buy Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate?
You can request a quote for Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-(4-phenylpiperazine-1-carbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.