2-Formylhistamine
TL;DR: 2-Formylhistamine (CAS 959055-98-2) is a chemical compound with molecular formula C6H9N3O and molecular weight 139.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-aminoethyl)-1H-imidazole-2-carbaldehyde
Also Known As: 2-Formylhistamine, 5-(2-Aminoethyl)-1H-imidazole-2-carbaldehyde, 5-(2-Aminoethyl)-1H-imidazole-2-carbaldehyde #, 1H-Imidazole-2-carboxaldehyde, 5-(2-aminoethyl)-
| Molecular Formula | C6H9N3O |
|---|---|
| Molecular Weight | 139.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.07455 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 959055-98-2 |
|---|---|
| SMILES | C1=C(NC(=N1)C=O)CCN |
| InChIKey | DAHQMIOVIVKQBA-UHFFFAOYSA-N |
Product Overview
2-Formylhistamine (CAS 959055-98-2), with molecular formula C6H9N3O and molecular weight 139.07 g/mol. IUPAC: 5-(2-aminoethyl)-1H-imidazole-2-carbaldehyde.
Chemical Property Profile of 2-Formylhistamine
Property Insights of 2-Formylhistamine
The XLogP value of -0.8 indicates that 2-Formylhistamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formylhistamine. Following Lipinski's Rule of Five, 2-Formylhistamine has 2 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 2-Formylhistamine?
The CAS number of 2-Formylhistamine is 959055-98-2.
What is the molecular formula of 2-Formylhistamine?
The molecular formula of 2-Formylhistamine is C6H9N3O.
What is the molecular weight of 2-Formylhistamine?
The molecular weight of 2-Formylhistamine is 139.07 g/mol.
Where can I buy 2-Formylhistamine?
You can request a quote for 2-Formylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formylhistamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Formylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.