![ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate structure](/static/products/7216/72161-14-9.webp)
ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate
TL;DR: ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate (CAS 72161-14-9) is a chemical compound with molecular formula C11H16N2O7 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate
Also Known As: ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate, (5Z)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[ethoxy(hydroxy)methylidene]-1H-imidazol-4-one, 1,4-Anhydro-1-{(5Z)-5-[ethoxy(hydroxy)methylidene]-4-oxo-4,5-dihydro-1H-imidazol-2-yl}pentitol, 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[ethoxy(hydroxy)methylidene]-1H-imidazol-4-one
| Molecular Formula | C11H16N2O7 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.09576 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 72161-14-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N1)C2C(C(C(O2)CO)O)O)O |
| InChIKey | DOQUFWFLYSEFGY-UHFFFAOYSA-N |
Product Overview
ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate (CAS 72161-14-9), with molecular formula C11H16N2O7 and molecular weight 288.10 g/mol. IUPAC: ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate.
Chemical Property Profile of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate
Property Insights of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate
The XLogP value of -0.7 indicates that ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate has 5 hydrogen bond donor(s) and 8 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 ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate?
The CAS number of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate is 72161-14-9.
What is the molecular formula of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate?
The molecular formula of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate is C11H16N2O7.
What is the molecular weight of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate?
The molecular weight of ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate is 288.10 g/mol.
Where can I buy ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate?
You can request a quote for ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.