![2-hydroxyethyl(methyl)[?]one structure](/static/products/1262/126234-04-6.webp)
2-hydroxyethyl(methyl)[?]one
TL;DR: 2-hydroxyethyl(methyl)[?]one (CAS 126234-04-6) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(2-hydroxyethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: 2-hydroxyethyl(methyl)[?]one, 6-(2-Hydroxyethyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-6-(2-hydroxyethyl)-5-methyl-, 6-(2-Hydroxyethyl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol, (+/-)-6-(2-Hydroxyethyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Technical Specifications
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.13208 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.13208 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | CC1CN2C3=C(CN1CCO)C=CC=C3NC2=O |
| InChIKey | CYAOZECYIGUAMM-UHFFFAOYSA-N |
Chemical Property Profile of 2-hydroxyethyl(methyl)[?]one
Property Insights of 2-hydroxyethyl(methyl)[?]one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxyethyl(methyl)[?]one. With a topological polar surface area (TPSA) of 55.8 Ų, 2-hydroxyethyl(methyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-hydroxyethyl(methyl)[?]one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-hydroxyethyl(methyl)[?]one?
The CAS number of 2-hydroxyethyl(methyl)[?]one is 126234-04-6.
What is the molecular formula of 2-hydroxyethyl(methyl)[?]one?
The molecular formula of 2-hydroxyethyl(methyl)[?]one is C13H17N3O2.
What is the molecular weight of 2-hydroxyethyl(methyl)[?]one?
The molecular weight of 2-hydroxyethyl(methyl)[?]one is 247.13208 g/mol.
Where can I buy 2-hydroxyethyl(methyl)[?]one?
You can request a quote for 2-hydroxyethyl(methyl)[?]one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-hydroxyethyl(methyl)[?]one?
Yes, CoreyChem provides custom synthesis services for 2-hydroxyethyl(methyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.