2-Aminomisonidazole
TL;DR: 2-Aminomisonidazole (CAS 80777-97-5) is a chemical compound with molecular formula COCC(CN1C=CN=C1N)O and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminoimidazol-1-yl)-3-methoxypropan-2-ol
Also Known As: 2-Aminomisonidazole, Miso-amine, 2-Amino-alpha-(methoxymethyl)-1H-imidazole-1-ethanol, 1-(2-aminoimidazol-1-yl)-3-methoxypropan-2-ol, 1-(2-amino-1h-imidazol-1-yl)-3-methoxypropan-2-ol
| Molecular Formula | COCC(CN1C=CN=C1N)O |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.10077 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 80777-97-5 |
|---|---|
| SMILES | COCC(CN1C=CN=C1N)O |
| InChIKey | VNOUGORWQZQSHE-UHFFFAOYSA-N |
Product Overview
2-Aminomisonidazole (CAS 80777-97-5), with molecular formula COCC(CN1C=CN=C1N)O and molecular weight 171.10 g/mol. IUPAC: 1-(2-aminoimidazol-1-yl)-3-methoxypropan-2-ol.
Chemical Property Profile of 2-Aminomisonidazole
Property Insights of 2-Aminomisonidazole
The XLogP value of -0.9 indicates that 2-Aminomisonidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminomisonidazole. Following Lipinski's Rule of Five, 2-Aminomisonidazole has 2 hydrogen bond donor(s) and 4 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-Aminomisonidazole?
The CAS number of 2-Aminomisonidazole is 80777-97-5.
What is the molecular formula of 2-Aminomisonidazole?
The molecular formula of 2-Aminomisonidazole is COCC(CN1C=CN=C1N)O.
What is the molecular weight of 2-Aminomisonidazole?
The molecular weight of 2-Aminomisonidazole is 171.10 g/mol.
Where can I buy 2-Aminomisonidazole?
You can request a quote for 2-Aminomisonidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminomisonidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminomisonidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.