![3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate structure](/static/products/2811/28113-96-4.webp)
3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate
TL;DR: 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate (CAS 28113-96-4) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-carboxyethyl)imidazol-1-ium-1-yl]propanoate
Also Known As: 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate, 3-[3-(2-carboxyethyl)imidazol-1-ium-1-yl]propanoate, 3-[3-(2-carboxyethyl)imidazol-1-yl]propanoate, 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoate, 3-(1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl)propanoate
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | -1.6097 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 326.24924 |
Chemical Identifiers
| CAS Number | 28113-96-4 |
|---|---|
| SMILES | C1=C[N+](=CN1CCC(=O)O)CCC(=O)[O-] |
Product Overview
3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate (CAS 28113-96-4), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: 3-[3-(2-carboxyethyl)imidazol-1-ium-1-yl]propanoate.
Chemical Property Profile of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate
Property Insights of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate
The XLogP value of -1.6097 indicates that 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate. Following Lipinski's Rule of Five, 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate has 1 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 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate?
The CAS number of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate is 28113-96-4.
What is the molecular formula of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate?
The molecular formula of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate is C9H12N2O4.
What is the molecular weight of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate?
The molecular weight of 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate is 212.08 g/mol.
Where can I buy 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate?
You can request a quote for 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.