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Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
TL;DR: Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate (CAS 514854-56-9) is a chemical compound with molecular formula C15H14N4O7 and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-[({4-nitro-1H-pyrazol-1-yl}acetyl)amino]terephthalate, dimethyl 2-(2-(4-nitro-1H-pyrazol-1-yl)acetamido)terephthalate, DIMETHYL 2-{[2-(4-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}TEREPHTHALATE, dimethyl 2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C15H14N4O7 |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 1.0032 |
| Topological Polar Surface Area | 142.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.08624 |
| Heavy Atoms | 26 |
| Complexity | 874.6299 |
Chemical Identifiers
| CAS Number | 514854-56-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C=C(C=N2)[N+](=O)[O-] |
Product Overview
Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate (CAS 514854-56-9), with molecular formula C15H14N4O7 and molecular weight 362.09 g/mol. IUPAC: dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
Property Insights of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
The XLogP value of 1.0032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate. The TPSA of 142.66 Ų indicates high polarity, suggesting Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate is 514854-56-9.
What is the molecular formula of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate is C15H14N4O7.
What is the molecular weight of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate is 362.09 g/mol.
Where can I buy Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.