methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
TL;DR: methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate (CAS 312289-32-0) is a chemical compound with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-2-(4-bromophenyl)-3,4-dihydropyrazole-4-carboxylate
Also Known As: BAS 01367158, methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate, A1808/0076414, methyl 5-acetyl-2-(4-bromophenyl)-3,4-dihydropyrazole-4-carboxylate, 1H-pyrazole-4-carboxylic acid, 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-, methyl ester
| Molecular Formula | C13H13BrN2O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 2.0033 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.01096 |
| Heavy Atoms | 19 |
| Complexity | 539.3242 |
Chemical Identifiers
| CAS Number | 312289-32-0 |
|---|---|
| SMILES | CC(=O)C1=NN(CC1C(=O)OC)C2=CC=C(C=C2)Br |
Product Overview
methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate (CAS 312289-32-0), with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol. IUPAC: methyl 5-acetyl-2-(4-bromophenyl)-3,4-dihydropyrazole-4-carboxylate.
Chemical Property Profile of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
Property Insights of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
The XLogP value of 2.0033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 58.97 Ų, methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate 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 methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
The CAS number of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is 312289-32-0.
What is the molecular formula of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
The molecular formula of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is C13H13BrN2O3.
What is the molecular weight of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
The molecular weight of methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is 324.01 g/mol.
Where can I buy methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
You can request a quote for methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.