5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid
TL;DR: 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid (CAS 218930-41-7) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
Also Known As: Maybridge1_001076, 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid, SDCCGMLS-0065847.P001, 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid, RefChem:303717
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.41074 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 644.3809 |
Chemical Identifiers
| CAS Number | 218930-41-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C2=C(C=C(C=C2)OC)C(=O)O |
Product Overview
5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid (CAS 218930-41-7), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid.
Chemical Property Profile of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid
Property Insights of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid
The XLogP value of 2.41074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid. Following Lipinski's Rule of Five, 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic 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 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid?
The CAS number of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid is 218930-41-7.
What is the molecular formula of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid?
The molecular formula of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid is C14H16N2O3.
What is the molecular weight of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid?
The molecular weight of 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid is 260.12 g/mol.
Where can I buy 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid?
You can request a quote for 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.