![methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate structure](/static/products/5151/515121-13-8.webp)
methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate
TL;DR: methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate (CAS 515121-13-8) is a chemical compound with molecular formula C14H14N4O5 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzoate
Also Known As: methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate, methyl 2-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}benzoate, methyl 2-(1-ethyl-4-nitro-1H-pyrazole-3-carboxamido)benzoate, Methyl 2-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzoate, methyl 2-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzoate
| Molecular Formula | C14H14N4O5 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 1.8501 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.0964 |
| Heavy Atoms | 23 |
| Complexity | 768.27814 |
Chemical Identifiers
| CAS Number | 515121-13-8 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate (CAS 515121-13-8), with molecular formula C14H14N4O5 and molecular weight 318.10 g/mol. IUPAC: methyl 2-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate
Property Insights of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate
The XLogP value of 1.8501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]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-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate?
The CAS number of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate is 515121-13-8.
What is the molecular formula of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate?
The molecular formula of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate is C14H14N4O5.
What is the molecular weight of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate?
The molecular weight of methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate is 318.10 g/mol.
Where can I buy methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate?
You can request a quote for methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]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-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.