Casimiroedine
TL;DR: Casimiroedine (CAS 5853-02-1) is a chemical compound with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide
Also Known As: Casimiroedine, Casimiroedin, N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide, 2-Propenamide, n-[2-(1-b-d-glucopyranosyl-1h-imidazol-4-yl)ethyl]-n-methyl-3-phenyl-,(2e)-
| Molecular Formula | C21H27N3O6 |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.18997 |
| Heavy Atoms | 30 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 5853-02-1 |
|---|---|
| SMILES | CN(CCC1=CN(C=N1)C2C(C(C(C(O2)CO)O)O)O)C(=O)C=CC3=CC=CC=C3 |
| InChIKey | CSFQQZOIHVWGMN-UHFFFAOYSA-N |
Product Overview
Casimiroedine (CAS 5853-02-1), with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol. IUPAC: N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide.
Chemical Property Profile of Casimiroedine
Property Insights of Casimiroedine
The XLogP value of -0.3 indicates that Casimiroedine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Casimiroedine. Following Lipinski's Rule of Five, Casimiroedine has 4 hydrogen bond donor(s) and 7 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 Casimiroedine?
The CAS number of Casimiroedine is 5853-02-1.
What is the molecular formula of Casimiroedine?
The molecular formula of Casimiroedine is C21H27N3O6.
What is the molecular weight of Casimiroedine?
The molecular weight of Casimiroedine is 417.19 g/mol.
Where can I buy Casimiroedine?
You can request a quote for Casimiroedine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Casimiroedine?
Yes, KEHONG BIO provides custom synthesis services for Casimiroedine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.