![acetonyl(methyl)[?]one structure](/static/products/1315/131514-83-5.webp)
acetonyl(methyl)[?]one
TL;DR: acetonyl(methyl)[?]one (CAS 131514-83-5) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-(2-oxopropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: acetonyl(methyl)[?]one, Methyl 4-(benzo[b]thiophen-2-yl)benzoate, 6-(2-Oxo-propyl)-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-5-methyl-6-(2-oxopropyl)-, (+/-)-6-(2-Oxo-propyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Technical Specifications
| Molecular Formula | C14H17N3O2 |
| Molecular Weight | 259.13208 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.13208 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | CC1CN2C3=C(CN1CC(=O)C)C=CC=C3NC2=O |
| InChIKey | XPCJMURVODIPLO-UHFFFAOYSA-N |
Chemical Property Profile of acetonyl(methyl)[?]one
Property Insights of acetonyl(methyl)[?]one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetonyl(methyl)[?]one. With a topological polar surface area (TPSA) of 52.7 Ų, acetonyl(methyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, acetonyl(methyl)[?]one has 1 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 acetonyl(methyl)[?]one?
The CAS number of acetonyl(methyl)[?]one is 131514-83-5.
What is the molecular formula of acetonyl(methyl)[?]one?
The molecular formula of acetonyl(methyl)[?]one is C14H17N3O2.
What is the molecular weight of acetonyl(methyl)[?]one?
The molecular weight of acetonyl(methyl)[?]one is 259.13208 g/mol.
Where can I buy acetonyl(methyl)[?]one?
You can request a quote for acetonyl(methyl)[?]one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for acetonyl(methyl)[?]one?
Yes, CoreyChem provides custom synthesis services for acetonyl(methyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.