![Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate structure](/static/products/4782/478246-65-0.webp)
Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate
TL;DR: Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate (CAS 478246-65-0) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
Also Known As: Bionet1_003106, methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate, methyl 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate, 9N-062, Methyl 3-nitro-4-4-(2-thienylcarbonyl)piperazinobenzenecarboxylate
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 2.4053 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 828.92883 |
Chemical Identifiers
| CAS Number | 478246-65-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate (CAS 478246-65-0), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: methyl 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate.
Chemical Property Profile of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate
Property Insights of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate
The XLogP value of 2.4053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate has 0 hydrogen bond donor(s) and 7 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-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate?
The CAS number of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate is 478246-65-0.
What is the molecular formula of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate?
The molecular formula of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate is C17H17N3O5S.
What is the molecular weight of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate?
The molecular weight of Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate is 375.09 g/mol.
Where can I buy Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate?
You can request a quote for Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate 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-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-4-[4-(2-thienylcarbonyl)piperazino]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.