4-Imidazolaldoxime
TL;DR: 4-Imidazolaldoxime (CAS 57090-90-1) is a chemical compound with molecular formula C4H5N3O and molecular weight 111.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-imidazol-5-ylmethylidene)hydroxylamine
Also Known As: 4-imidazolaldoxime, 1H-Imidazole-4-carboxaldehyde, oxime (9CI)
| Molecular Formula | C4H5N3O |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | 0.2178 |
| Topological Polar Surface Area | 61.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.04326 |
| Heavy Atoms | 8 |
| Complexity | 167.41891 |
Chemical Identifiers
| CAS Number | 57090-90-1 |
|---|---|
| SMILES | C1=C(NC=N1)C=NO |
Product Overview
4-Imidazolaldoxime (CAS 57090-90-1), with molecular formula C4H5N3O and molecular weight 111.04 g/mol. IUPAC: N-(1H-imidazol-5-ylmethylidene)hydroxylamine.
Chemical Property Profile of 4-Imidazolaldoxime
Property Insights of 4-Imidazolaldoxime
The XLogP value of 0.2178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Imidazolaldoxime. The TPSA of 61.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Imidazolaldoxime. Following Lipinski's Rule of Five, 4-Imidazolaldoxime 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 4-Imidazolaldoxime?
The CAS number of 4-Imidazolaldoxime is 57090-90-1.
What is the molecular formula of 4-Imidazolaldoxime?
The molecular formula of 4-Imidazolaldoxime is C4H5N3O.
What is the molecular weight of 4-Imidazolaldoxime?
The molecular weight of 4-Imidazolaldoxime is 111.04 g/mol.
Where can I buy 4-Imidazolaldoxime?
You can request a quote for 4-Imidazolaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Imidazolaldoxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Imidazolaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.