![diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate structure](/static/products/5128/512811-87-9.webp)
diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate
TL;DR: diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate (CAS 512811-87-9) is a chemical compound with molecular formula C19H22BrN3O5 and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate, diisopropyl 5-(4-bromo-1-methyl-1H-pyrazole-3-carboxamido)isophthalate, dipropan-2-yl 5-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate, dipropan-2-yl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C19H22BrN3O5 |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 3.5653 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.07428 |
| Heavy Atoms | 28 |
| Complexity | 864.71924 |
Chemical Identifiers
| CAS Number | 512811-87-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2Br)C)C(=O)OC(C)C |
Product Overview
diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate (CAS 512811-87-9), with molecular formula C19H22BrN3O5 and molecular weight 451.07 g/mol. IUPAC: dipropan-2-yl 5-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate
Property Insights of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate
The XLogP value of 3.5653 indicates that diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate. Following Lipinski's Rule of Five, diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate 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 diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate?
The CAS number of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate is 512811-87-9.
What is the molecular formula of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate?
The molecular formula of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate is C19H22BrN3O5.
What is the molecular weight of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate?
The molecular weight of diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate is 451.07 g/mol.
Where can I buy diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate?
You can request a quote for diisopropyl 5-{[(4-bromo-1-methyl-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-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 5-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.