1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid (CAS 95755-79-6) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(phenoxymethyl)pyrazole-3-carboxylic acid
Also Known As: 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid, TimTec1_003369, 1-(phenoxymethyl)pyrazole-3-carboxylic acid, 1-(phenoxymethyl)-1H-pyrazole-3-carboxylicacid, 1H-Pyrazole-3-carboxylic acid, 1-(phenoxymethyl)-
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 95755-79-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)O |
| InChIKey | MGRKBHPBCKJFBU-UHFFFAOYSA-N |
Product Overview
1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid (CAS 95755-79-6), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 1-(phenoxymethyl)pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic 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 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid is 95755-79-6.
What is the molecular formula of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid is C11H10N2O3.
What is the molecular weight of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid is 218.07 g/mol.
Where can I buy 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-(phenoxymethyl)-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-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.