![methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate structure](/static/products/1031/1031434-02-2.webp)
methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate
TL;DR: methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate (CAS 1031434-02-2) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]benzoate
Also Known As: methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate, 8X-0056, methyl 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]benzoate, methyl 3-nitro-4-{4-[5-(thiophen-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}benzoate, methyl3-nitro-4-{4-[5-(thiophen-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}benzoate
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 4.217 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1023.043 |
Chemical Identifiers
| CAS Number | 1031434-02-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=CS4)[N+](=O)[O-] |
Product Overview
methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate (CAS 1031434-02-2), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: methyl 3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]benzoate.
Chemical Property Profile of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate
Property Insights of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate
The XLogP value of 4.217 indicates that methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate. Following Lipinski's Rule of Five, methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate has 1 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-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate?
The CAS number of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate is 1031434-02-2.
What is the molecular formula of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate?
The molecular formula of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate is C20H20N4O4S.
What is the molecular weight of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate?
The molecular weight of methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate is 412.12 g/mol.
Where can I buy methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate?
You can request a quote for methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}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-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.