1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
TL;DR: 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one (CAS 139399-42-1) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
Also Known As: BAS 00135200, 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one, J1.044.051C, AE-848/32002054, 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-benzimidazol-2-yl)ethanone
Technical Specifications
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.13174 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.13174 Da |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
| SMILES | CCC1=CC(=C(C=C1O)O)C(=O)CC2=NC3=CC=CC=C3N2C |
| InChIKey | KAIMAPGPSLRDDN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
Property Insights of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
The XLogP value of 3.4 indicates that 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one 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
What is the CAS number of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one?
The CAS number of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one is 139399-42-1.
What is the molecular formula of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one?
The molecular formula of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one is C18H18N2O3.
What is the molecular weight of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one?
The molecular weight of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one is 310.13174 g/mol.
Where can I buy 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one?
You can request a quote for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.