![Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate structure](/static/products/5151/515151-05-0.webp)
Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate
TL;DR: Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate (CAS 515151-05-0) 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 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate
Also Known As: Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate, methyl 3-[({4-nitro-1H-pyrazol-1-yl}acetyl)amino]-4-methylbenzoate, methyl 4-methyl-3-(2-(4-nitro-1H-pyrazol-1-yl)acetamido)benzoate, methyl 4-methyl-3-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}benzoate, METHYL 4-METHYL-3-{[2-(4-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}BENZOATE
| Molecular Formula | C14H14N4O5 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 1.52502 |
| 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 | 515151-05-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] |
Product Overview
Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate (CAS 515151-05-0), with molecular formula C14H14N4O5 and molecular weight 318.10 g/mol. IUPAC: methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate
Property Insights of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate
The XLogP value of 1.52502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]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 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate?
The CAS number of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate is 515151-05-0.
What is the molecular formula of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate?
The molecular formula of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate is C14H14N4O5.
What is the molecular weight of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate?
The molecular weight of Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate is 318.10 g/mol.
Where can I buy Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate?
You can request a quote for Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]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 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.