Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate
TL;DR: Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate (CAS 618442-05-0) is a chemical compound with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4-bromo-2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate
Also Known As: Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate, dimethyl 1-(4-bromo-2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate, Dimethyl 1-(4-bromo-2-propan-2-yl-phenyl)pyrazole-3,4-dicarboxylate, 646-349-8, RefChem:588117
| Molecular Formula | C16H17BrN2O4 |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 3.3314 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.03717 |
| Heavy Atoms | 23 |
| Complexity | 719.0337 |
Chemical Identifiers
| CAS Number | 618442-05-0 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)Br)N2C=C(C(=N2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate (CAS 618442-05-0), with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol. IUPAC: dimethyl 1-(4-bromo-2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate.
Chemical Property Profile of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate
Property Insights of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate
The XLogP value of 3.3314 indicates that Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate?
The CAS number of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate is 618442-05-0.
What is the molecular formula of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate?
The molecular formula of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate is C16H17BrN2O4.
What is the molecular weight of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate?
The molecular weight of Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate is 380.04 g/mol.
Where can I buy Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate?
You can request a quote for Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-(4-bromo-2-isopropylphenyl)-1H-pyrazole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.