3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid
TL;DR: 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid (CAS 53660-13-2) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylimidazol-1-yl)-2-methylpropanoic acid
Also Known As: 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid, 3-(2-Ethyl-imidazol-1-yl)-2-methyl-propionic acid, 3-(2-ethylimidazol-1-yl)-2-methylpropanoic acid, BAS 12711217, 1H-imidazole-1-propanoic acid, 2-ethyl-alpha-methyl-
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.1662 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 293.55972 |
Chemical Identifiers
| CAS Number | 53660-13-2 |
|---|---|
| SMILES | CCC1=NC=CN1CC(C)C(=O)O |
Product Overview
3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid (CAS 53660-13-2), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 3-(2-ethylimidazol-1-yl)-2-methylpropanoic acid.
Chemical Property Profile of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid
Property Insights of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid
The XLogP value of 1.1662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic 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 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid?
The CAS number of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid is 53660-13-2.
What is the molecular formula of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid?
The molecular formula of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid is C9H14N2O2.
What is the molecular weight of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid?
The molecular weight of 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid is 182.11 g/mol.
Where can I buy 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid?
You can request a quote for 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-ethyl-1H-imidazol-1-yl)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.