Histidine dication
TL;DR: Histidine dication (CAS 7230-69-5) is a chemical compound with molecular formula C6H11N3O2+2 and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-carboxy-2-(1H-imidazol-3-ium-5-yl)ethyl]azanium
Also Known As: histidine dication, histidinediium, histidinium(2+), 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium, 5-(2-Azaniumyl-2-carboxyethyl)-1H-imidazol-3-ium
| Molecular Formula | C6H11N3O2+2 |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | -1.9336 |
| Topological Polar Surface Area | 94.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.08513 |
| Heavy Atoms | 11 |
| Complexity | 231.98524 |
Chemical Identifiers
| CAS Number | 7230-69-5 |
|---|---|
| SMILES | C1=C(NC=[NH+]1)CC(C(=O)O)[NH3+] |
Product Overview
Histidine dication (CAS 7230-69-5), with molecular formula C6H11N3O2+2 and molecular weight 157.09 g/mol. IUPAC: [1-carboxy-2-(1H-imidazol-3-ium-5-yl)ethyl]azanium.
Chemical Property Profile of Histidine dication
Property Insights of Histidine dication
The XLogP value of -1.9336 indicates that Histidine dication is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine dication. Following Lipinski's Rule of Five, Histidine dication has 3 hydrogen bond donor(s) and 1 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 Histidine dication?
The CAS number of Histidine dication is 7230-69-5.
What is the molecular formula of Histidine dication?
The molecular formula of Histidine dication is C6H11N3O2+2.
What is the molecular weight of Histidine dication?
The molecular weight of Histidine dication is 157.09 g/mol.
Where can I buy Histidine dication?
You can request a quote for Histidine dication directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine dication?
Yes, KEHONG BIO provides custom synthesis services for Histidine dication and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.