methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
TL;DR: methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate (CAS 6067-94-3) is a chemical compound with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
Also Known As: BIM-0043909.P001, methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate, Methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C18H15BrN2O4 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 2.6693 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0215 |
| Heavy Atoms | 25 |
| Complexity | 853.16437 |
Chemical Identifiers
| CAS Number | 6067-94-3 |
|---|---|
| SMILES | COC(=O)C1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC(=CC=C3)Br |
Product Overview
methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate (CAS 6067-94-3), with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol. IUPAC: methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
Property Insights of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
The XLogP value of 2.6693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate has 1 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 methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate?
The CAS number of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate is 6067-94-3.
What is the molecular formula of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate is C18H15BrN2O4.
What is the molecular weight of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate is 402.02 g/mol.
Where can I buy methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-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 methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.