![5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid structure](/static/products/2169/2169-67-7.webp)
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
TL;DR: 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid (CAS 2169-67-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
Also Known As: 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid, bromodifluoroacetamide, 5-(3,5-Dimethyl-pyrazol-1-ylmethyl)-furan-2-carboxylic acid, 9858AD, BAS 08302059
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 2169-67-7 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=C(O2)C(=O)O)C |
| InChIKey | BPVDCRCAORFYHG-UHFFFAOYSA-N |
Product Overview
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid (CAS 2169-67-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
Property Insights of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid. Following Lipinski's Rule of Five, 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid has 1 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 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid?
The CAS number of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid is 2169-67-7.
What is the molecular formula of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid?
The molecular formula of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid is C11H12N2O3.
What is the molecular weight of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid?
The molecular weight of 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid is 220.08 g/mol.
Where can I buy 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid?
You can request a quote for 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.