Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate
TL;DR: Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate (CAS 1001500-73-7) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate
Also Known As: methyl 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoate, methyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate, 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-propionic acid methyl ester, Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate, methyl 3-(4-bromo-3,5-dimethylpyrazolyl)propanoate
| Molecular Formula | C9H13BrN2O2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 1.82554 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.01605 |
| Heavy Atoms | 14 |
| Complexity | 346.8263 |
Chemical Identifiers
| CAS Number | 1001500-73-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC(=O)OC)C)Br |
Product Overview
Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate (CAS 1001500-73-7), with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol. IUPAC: methyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate.
Chemical Property Profile of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate
Property Insights of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate
The XLogP value of 1.82554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate has 0 hydrogen bond donor(s) and 3 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 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate?
The CAS number of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate is 1001500-73-7.
What is the molecular formula of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate?
The molecular formula of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate is C9H13BrN2O2.
What is the molecular weight of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate?
The molecular weight of Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate is 260.02 g/mol.
Where can I buy Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate?
You can request a quote for Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.