![Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate structure](/static/products/5277/52-77-7.webp)
Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate
TL;DR: Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 52-77-7) 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.
ethyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate
Also Known As: ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate, ethyl 4-[(2-methyl-4-nitropyrazole-3-carbonyl)amino]benzoate, ethyl 4-(1-methyl-4-nitro-1H-pyrazole-5-carboxamido)benzoate, N-[4-(Ethoxycarbonyl)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboximidic acid
| Molecular Formula | C14H14N4O5 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 1.7573 |
| 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 | 751.02814 |
Chemical Identifiers
| CAS Number | 52-77-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] |
Product Overview
Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 52-77-7), with molecular formula C14H14N4O5 and molecular weight 318.10 g/mol. IUPAC: ethyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate
Property Insights of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate
The XLogP value of 1.7573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-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 Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate?
The CAS number of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate is 52-77-7.
What is the molecular formula of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate is C14H14N4O5.
What is the molecular weight of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate is 318.10 g/mol.
Where can I buy Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-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 Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(1-methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.