3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
TL;DR: 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate (CAS 512809-19-7) is a chemical compound with molecular formula C12H9BrN2O3 and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formylphenyl) 4-bromo-1-methylpyrazole-3-carboxylate
Also Known As: 3-formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate, (3-formylphenyl) 4-bromo-1-methylpyrazole-3-carboxylate, 3-formylphenyl 4-bromo-1-methylpyrazole-3-carboxylate, (3-formylphenyl) 4-bromo-1-methyl-pyrazole-3-carboxylate, RefChem:279573
| Molecular Formula | C12H9BrN2O3 |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 2.2143 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.97964 |
| Heavy Atoms | 18 |
| Complexity | 607.12006 |
Chemical Identifiers
| CAS Number | 512809-19-7 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)C=O)Br |
Product Overview
3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate (CAS 512809-19-7), with molecular formula C12H9BrN2O3 and molecular weight 307.98 g/mol. IUPAC: (3-formylphenyl) 4-bromo-1-methylpyrazole-3-carboxylate.
Chemical Property Profile of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Property Insights of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.2143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
The CAS number of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate is 512809-19-7.
What is the molecular formula of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate is C12H9BrN2O3.
What is the molecular weight of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate is 307.98 g/mol.
Where can I buy 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.