![1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid structure](/static/products/100/1004193-06-9.png)
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
TL;DR: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1004193-06-9) is a chemical compound with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid, 1-((4-Chloro-3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylic acid, 1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid, 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylic Acid, 1-(4-Chloro-3,5-dimethyl-phenoxymethyl)-1 H -pyrazole-3-carboxylic acid
| Molecular Formula | C13H13ClN2O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 2.88804 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06146 |
| Heavy Atoms | 19 |
| Complexity | 599.09607 |
Chemical Identifiers
| CAS Number | 1004193-06-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)O |
Product Overview
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1004193-06-9), with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol. IUPAC: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Property Insights of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.88804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid has 1 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 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid is 1004193-06-9.
What is the molecular formula of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid is C13H13ClN2O3.
What is the molecular weight of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid is 280.06 g/mol.
Where can I buy 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.