![methyl(2-methylallyl)[?]one structure](/static/products/1316/131613-16-6.webp)
methyl(2-methylallyl)[?]one
TL;DR: methyl(2-methylallyl)[?]one (CAS 131613-16-6) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-(2-methylprop-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methyl(2-methylallyl)[?]one, 6-(2-Methyl-2-propenyl)-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-methyl-2-propenyl)-, (1)-, 8-Methyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one, (+/-)-6-(2-Methyl-2-propenyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H19N3O |
| Molecular Weight | 257.1528 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1528 Da |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
| SMILES | CC1CN2C3=C(CN1CC(=C)C)C=CC=C3NC2=O |
| InChIKey | IIUBASIWSTXESN-UHFFFAOYSA-N |
Chemical Property Profile of methyl(2-methylallyl)[?]one
Property Insights of methyl(2-methylallyl)[?]one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(2-methylallyl)[?]one. With a topological polar surface area (TPSA) of 35.6 Ų, methyl(2-methylallyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(2-methylallyl)[?]one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl(2-methylallyl)[?]one?
The CAS number of methyl(2-methylallyl)[?]one is 131613-16-6.
What is the molecular formula of methyl(2-methylallyl)[?]one?
The molecular formula of methyl(2-methylallyl)[?]one is C15H19N3O.
What is the molecular weight of methyl(2-methylallyl)[?]one?
The molecular weight of methyl(2-methylallyl)[?]one is 257.1528 g/mol.
Where can I buy methyl(2-methylallyl)[?]one?
You can request a quote for methyl(2-methylallyl)[?]one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl(2-methylallyl)[?]one?
Yes, CoreyChem provides custom synthesis services for methyl(2-methylallyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.