![methyl(3-methylbut-2-enyl)[?]one structure](/static/products/1316/131613-18-8.webp)
methyl(3-methylbut-2-enyl)[?]one
TL;DR: methyl(3-methylbut-2-enyl)[?]one (CAS 131613-18-8) is a chemical compound with molecular formula C16H21N3O and molecular weight 271.16846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(11R)-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methyl(3-methylbut-2-enyl)[?]one, J1.572.199E, R 79882, R-(-)-6-(2-Methyl-2-butene-4-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one, (11R)-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Technical Specifications
| Molecular Formula | C16H21N3O |
| Molecular Weight | 271.16846 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.16846 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | C[C@@H]1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=O |
| InChIKey | LOFKLFWOTPCHJG-GFCCVEGCSA-N |
Chemical Property Profile of methyl(3-methylbut-2-enyl)[?]one
Property Insights of methyl(3-methylbut-2-enyl)[?]one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(3-methylbut-2-enyl)[?]one. With a topological polar surface area (TPSA) of 35.6 Ų, methyl(3-methylbut-2-enyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(3-methylbut-2-enyl)[?]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(3-methylbut-2-enyl)[?]one?
The CAS number of methyl(3-methylbut-2-enyl)[?]one is 131613-18-8.
What is the molecular formula of methyl(3-methylbut-2-enyl)[?]one?
The molecular formula of methyl(3-methylbut-2-enyl)[?]one is C16H21N3O.
What is the molecular weight of methyl(3-methylbut-2-enyl)[?]one?
The molecular weight of methyl(3-methylbut-2-enyl)[?]one is 271.16846 g/mol.
Where can I buy methyl(3-methylbut-2-enyl)[?]one?
You can request a quote for methyl(3-methylbut-2-enyl)[?]one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl(3-methylbut-2-enyl)[?]one?
Yes, CoreyChem provides custom synthesis services for methyl(3-methylbut-2-enyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.