![diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate structure](/static/products/5128/512817-40-2.webp)
diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate
TL;DR: diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate (CAS 512817-40-2) is a chemical compound with molecular formula C20H24N4O7 and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate, dipropan-2-yl 5-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate, diisopropyl 5-(1-ethyl-4-nitro-1H-pyrazole-3-carboxamido)isophthalate, DIISOPROPYL 5-{[(1-ETHYL-4-NITRO-1H-PYRAZOL-3-YL)CARBONYL]AMINO}ISOPHTHALATE, dipropan-2-yl 5-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C20H24N4O7 |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 3.1939 |
| Topological Polar Surface Area | 142.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.1645 |
| Heavy Atoms | 31 |
| Complexity | 970.70245 |
Chemical Identifiers
| CAS Number | 512817-40-2 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C)[N+](=O)[O-] |
Product Overview
diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate (CAS 512817-40-2), with molecular formula C20H24N4O7 and molecular weight 432.16 g/mol. IUPAC: dipropan-2-yl 5-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate
Property Insights of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate
The XLogP value of 3.1939 indicates that diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.66 Ų indicates high polarity, suggesting diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate 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 diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate?
The CAS number of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate is 512817-40-2.
What is the molecular formula of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate?
The molecular formula of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate is C20H24N4O7.
What is the molecular weight of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate?
The molecular weight of diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate is 432.16 g/mol.
Where can I buy diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate?
You can request a quote for diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 5-[({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.