methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate
TL;DR: methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate (CAS 1004643-38-2) is a chemical compound with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-bromo-5-methylpyrazol-1-yl)propanoate
Also Known As: methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate, methyl 3-(4-bromo-5-methylpyrazol-1-yl)propanoate, methyl 3-(4-bromo-5-methylpyrazolyl)propanoate, 3-(4-Bromo-5-methyl-pyrazol-1-yl)-propionic acid methyl ester, Methyl 4-bromo-5-methyl-1H-pyrazole-1-propanoate
| Molecular Formula | C8H11BrN2O2 |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 1.51712 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0004 |
| Heavy Atoms | 13 |
| Complexity | 309.0927 |
Chemical Identifiers
| CAS Number | 1004643-38-2 |
|---|---|
| SMILES | CC1=C(C=NN1CCC(=O)OC)Br |
Product Overview
methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate (CAS 1004643-38-2), with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol. IUPAC: methyl 3-(4-bromo-5-methylpyrazol-1-yl)propanoate.
Chemical Property Profile of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate
Property Insights of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate
The XLogP value of 1.51712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)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 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate?
The CAS number of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate is 1004643-38-2.
What is the molecular formula of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate?
The molecular formula of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate is C8H11BrN2O2.
What is the molecular weight of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate?
The molecular weight of methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate is 246.00 g/mol.
Where can I buy methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate?
You can request a quote for methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.