Imidazole-1-butyric acid, 2-methyl-, ethyl ester
TL;DR: Imidazole-1-butyric acid, 2-methyl-, ethyl ester (CAS 110525-53-6) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(2-methylimidazol-1-yl)butanoate
Also Known As: Ethyl 2-methyl-1H-imidazol-1-ylbutanoate, ethyl 4-(2-methylimidazol-1-yl)butanoate, 2-Methylimidazole-1-butyric acid ethyl ester, Imidazole-1-butyric acid, 2-methyl-, ethyl ester, 1H-Imidazole-1-butanoic acid, 2-methyl-, ethyl ester
Technical Specifications
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.12119 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.12119 Da |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
| SMILES | CCOC(=O)CCCN1C=CN=C1C |
| InChIKey | WBOLHIIQVPGIJV-UHFFFAOYSA-N |
Chemical Property Profile of Imidazole-1-butyric acid, 2-methyl-, ethyl ester
Property Insights of Imidazole-1-butyric acid, 2-methyl-, ethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole-1-butyric acid, 2-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, Imidazole-1-butyric acid, 2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole-1-butyric acid, 2-methyl-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Imidazole-1-butyric acid, 2-methyl-, ethyl ester?
The CAS number of Imidazole-1-butyric acid, 2-methyl-, ethyl ester is 110525-53-6.
What is the molecular formula of Imidazole-1-butyric acid, 2-methyl-, ethyl ester?
The molecular formula of Imidazole-1-butyric acid, 2-methyl-, ethyl ester is C10H16N2O2.
What is the molecular weight of Imidazole-1-butyric acid, 2-methyl-, ethyl ester?
The molecular weight of Imidazole-1-butyric acid, 2-methyl-, ethyl ester is 196.12119 g/mol.
Where can I buy Imidazole-1-butyric acid, 2-methyl-, ethyl ester?
You can request a quote for Imidazole-1-butyric acid, 2-methyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Imidazole-1-butyric acid, 2-methyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Imidazole-1-butyric acid, 2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.