![ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate structure](/static/products/899/899713-11-2.png)
ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate (CAS 899713-11-2) is a chemical compound with molecular formula C14H13BrN4O5 and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-bromo-3-nitropyrazol-1-yl)acetyl]amino]benzoate
Also Known As: BAS 02107869, ethyl 4-(2-(4-bromo-3-nitro-1H-pyrazol-1-yl)acetamido)benzoate, ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate, ethyl 4-[[2-(4-bromo-3-nitropyrazol-1-yl)acetyl]amino]benzoate, 4-[2-(4-Bromo-3-nitro-pyrazol-1-yl)-acetylamino]-benzoic acid ethyl ester
| Molecular Formula | C14H13BrN4O5 |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 2.3692 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.00693 |
| Heavy Atoms | 24 |
| Complexity | 771.97205 |
Chemical Identifiers
| CAS Number | 899713-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Br |
Product Overview
ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate (CAS 899713-11-2), with molecular formula C14H13BrN4O5 and molecular weight 396.01 g/mol. IUPAC: ethyl 4-[[2-(4-bromo-3-nitropyrazol-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate
The XLogP value of 2.3692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-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 ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate is 899713-11-2.
What is the molecular formula of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate is C14H13BrN4O5.
What is the molecular weight of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate is 396.01 g/mol.
Where can I buy ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-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 ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({4-bromo-3-nitro-1H-pyrazol-1-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.