![methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate structure](/static/products/3758/375831-92-8.webp)
methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate
TL;DR: methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate (CAS 375831-92-8) is a chemical compound with molecular formula C12H13BrN2O3 and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
Also Known As: ChemDiv2_001496, methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate, Methyl 5-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxylate, methyl 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate, 5-(4-Bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-furan-2-carboxylic acid methyl ester
| Molecular Formula | C12H13BrN2O3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 2.69034 |
| Topological Polar Surface Area | 57.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.01096 |
| Heavy Atoms | 18 |
| Complexity | 586.157 |
Chemical Identifiers
| CAS Number | 375831-92-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC)C)Br |
Product Overview
methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate (CAS 375831-92-8), with molecular formula C12H13BrN2O3 and molecular weight 312.01 g/mol. IUPAC: methyl 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate
Property Insights of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate
The XLogP value of 2.69034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate. With a topological polar surface area (TPSA) of 57.26 Ų, methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate 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 methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate?
The CAS number of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate is 375831-92-8.
What is the molecular formula of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate?
The molecular formula of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate is C12H13BrN2O3.
What is the molecular weight of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate?
The molecular weight of methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate is 312.01 g/mol.
Where can I buy methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate?
You can request a quote for methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.