Ethyl 1H-imidazole-1-butanoate
TL;DR: Ethyl 1H-imidazole-1-butanoate (CAS 72338-57-9) 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.
ethyl 4-imidazol-1-ylbutanoate
Also Known As: Imidazole-1-butyric acid, ethyl ester, ethyl 4-imidazol-1-ylbutanoate, Ethyl 1H-imidazol-1-ylbutanoate, Ethyl 1H-imidazole-1-butanoate, ethyl 4-(1-imidazolyl)butyrate
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.2264 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 244.1272 |
Chemical Identifiers
| CAS Number | 72338-57-9 |
|---|---|
| SMILES | CCOC(=O)CCCN1C=CN=C1 |
Product Overview
Ethyl 1H-imidazole-1-butanoate (CAS 72338-57-9), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: ethyl 4-imidazol-1-ylbutanoate.
Chemical Property Profile of Ethyl 1H-imidazole-1-butanoate
Property Insights of Ethyl 1H-imidazole-1-butanoate
The XLogP value of 1.2264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-imidazole-1-butanoate. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 1H-imidazole-1-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-imidazole-1-butanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 1H-imidazole-1-butanoate?
The CAS number of Ethyl 1H-imidazole-1-butanoate is 72338-57-9.
What is the molecular formula of Ethyl 1H-imidazole-1-butanoate?
The molecular formula of Ethyl 1H-imidazole-1-butanoate is C9H14N2O2.
What is the molecular weight of Ethyl 1H-imidazole-1-butanoate?
The molecular weight of Ethyl 1H-imidazole-1-butanoate is 182.11 g/mol.
Where can I buy Ethyl 1H-imidazole-1-butanoate?
You can request a quote for Ethyl 1H-imidazole-1-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1H-imidazole-1-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-imidazole-1-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.