Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate
TL;DR: Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate (CAS 39215-52-6) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
Also Known As: EINECS 254-359-5, .ALPHA.-OXODEHYDRODESTHIOBIOTIN, ethyl 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate, Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate, ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 1.31762 |
| Topological Polar Surface Area | 92.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 472.6671 |
Chemical Identifiers
| CAS Number | 39215-52-6 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C |
Product Overview
Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate (CAS 39215-52-6), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: ethyl 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate.
Chemical Property Profile of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate
Property Insights of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate
The XLogP value of 1.31762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate. The TPSA of 92.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate. Following Lipinski's Rule of Five, Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate 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 Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate?
The CAS number of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate is 39215-52-6.
What is the molecular formula of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate?
The molecular formula of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate is C12H18N2O4.
What is the molecular weight of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate?
The molecular weight of Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate is 254.13 g/mol.
Where can I buy Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate?
You can request a quote for Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate 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-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dihydro-5-methyl-epsilon-2-dioxo-1H-imidazole-4-hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.