2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid (CAS 218930-38-2) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
Also Known As: Maybridge1_001032, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.40034 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 582.779 |
Chemical Identifiers
| CAS Number | 218930-38-2 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)C2=C(C=C(C=C2)OC)C(=O)O |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid (CAS 218930-38-2), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
The XLogP value of 2.40034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid has 2 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 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid is 218930-38-2.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid is C13H14N2O3.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid is 246.10 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.