3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
TL;DR: 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate (CAS 507-29-9) is a chemical compound with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
Also Known As: Hercynine, Hercynin, L-Histidine trimethylbetaine, Histidine trimethylbetaine, Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine
| Molecular Formula | C9H15N3O2 |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | -1.2231 |
| Topological Polar Surface Area | 68.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.11642 |
| Heavy Atoms | 14 |
| Complexity | 300.35703 |
Chemical Identifiers
| CAS Number | 507-29-9 |
|---|---|
| SMILES | C[N+](C)(C)C(CC1=CN=CN1)C(=O)[O-] |
Product Overview
3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate (CAS 507-29-9), with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol. IUPAC: 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate.
Chemical Property Profile of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
Property Insights of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
The XLogP value of -1.2231 indicates that 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate. Following Lipinski's Rule of Five, 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)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-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate?
The CAS number of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate is 507-29-9.
What is the molecular formula of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate?
The molecular formula of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate is C9H15N3O2.
What is the molecular weight of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate?
The molecular weight of 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate is 197.12 g/mol.
Where can I buy 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate?
You can request a quote for 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.