2-Pyrazol-1-ylmethyl-benzoic acid
TL;DR: 2-Pyrazol-1-ylmethyl-benzoic acid (CAS 84349-27-9) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrazol-1-ylmethyl)benzoic acid
Also Known As: 2-Pyrazol-1-ylmethyl-benzoic acid, 2-(1H-pyrazol-1-ylmethyl)benzoic acid, 2-(pyrazol-1-ylmethyl)benzoic acid, Sodium bromodifluoroacetate, 2-(pyrazolylmethyl)benzoic acid
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.6296 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 463.19998 |
Chemical Identifiers
| CAS Number | 84349-27-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=CC=N2)C(=O)O |
Product Overview
2-Pyrazol-1-ylmethyl-benzoic acid (CAS 84349-27-9), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 2-(pyrazol-1-ylmethyl)benzoic acid.
Chemical Property Profile of 2-Pyrazol-1-ylmethyl-benzoic acid
Property Insights of 2-Pyrazol-1-ylmethyl-benzoic acid
The XLogP value of 1.6296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazol-1-ylmethyl-benzoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-Pyrazol-1-ylmethyl-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrazol-1-ylmethyl-benzoic acid has 1 hydrogen bond donor(s) and 2 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-Pyrazol-1-ylmethyl-benzoic acid?
The CAS number of 2-Pyrazol-1-ylmethyl-benzoic acid is 84349-27-9.
What is the molecular formula of 2-Pyrazol-1-ylmethyl-benzoic acid?
The molecular formula of 2-Pyrazol-1-ylmethyl-benzoic acid is C11H10N2O2.
What is the molecular weight of 2-Pyrazol-1-ylmethyl-benzoic acid?
The molecular weight of 2-Pyrazol-1-ylmethyl-benzoic acid is 202.07 g/mol.
Where can I buy 2-Pyrazol-1-ylmethyl-benzoic acid?
You can request a quote for 2-Pyrazol-1-ylmethyl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazol-1-ylmethyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazol-1-ylmethyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.