2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid
TL;DR: 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid (CAS 876717-95-2) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylimidazol-1-yl)methyl]benzoic acid
Also Known As: Sodium chlorofluoroacetate, 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid, 2-[(2-methylimidazol-1-yl)methyl]benzoic acid, BAS 10157015, 2-[(2-methylimidazolyl)methyl]benzoic acid
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.93802 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 517.24225 |
Chemical Identifiers
| CAS Number | 876717-95-2 |
|---|---|
| SMILES | CC1=NC=CN1CC2=CC=CC=C2C(=O)O |
Product Overview
2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid (CAS 876717-95-2), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-[(2-methylimidazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid
Property Insights of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid
The XLogP value of 1.93802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methyl-imidazol-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-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid?
The CAS number of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid is 876717-95-2.
What is the molecular formula of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid?
The molecular formula of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid is C12H12N2O2.
What is the molecular weight of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid?
The molecular weight of 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid is 216.09 g/mol.
Where can I buy 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid?
You can request a quote for 2-(2-Methyl-imidazol-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-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.