![2-[methyl(oxo)[?]yl]acetonitrile structure](/static/products/1262/126234-02-4.webp)
2-[methyl(oxo)[?]yl]acetonitrile
TL;DR: 2-[methyl(oxo)[?]yl]acetonitrile (CAS 126234-02-4) is a chemical compound with molecular formula C13H14N4O and molecular weight 242.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile
Also Known As: 2-[methyl(oxo)[?]yl]acetonitrile, 6-Cyanomethyl-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, Imidazo(4,5,1-jk)(1,4)benzodiazepine-6(7H)-acetonitrile, 1,2,4,5-tetrahydro-5-methyl-2-oxo-, Imidazo[4,5,1-jk][1,4]benzodiazepine-6(7H)-acetonitrile,1,2,4,5-tetrahydro-5-methyl-2-oxo-, (2-Hydroxy-5-methyl-4,5-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-6(7H)-yl)acetonitrile
Technical Specifications
| Molecular Formula | C13H14N4O |
| Molecular Weight | 242.11676 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.11676 Da |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
| SMILES | CC1CN2C3=C(CN1CC#N)C=CC=C3NC2=O |
| InChIKey | KEDVGEXDCCSFKO-UHFFFAOYSA-N |
Chemical Property Profile of 2-[methyl(oxo)[?]yl]acetonitrile
Property Insights of 2-[methyl(oxo)[?]yl]acetonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[methyl(oxo)[?]yl]acetonitrile. With a topological polar surface area (TPSA) of 59.4 Ų, 2-[methyl(oxo)[?]yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[methyl(oxo)[?]yl]acetonitrile 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 2-[methyl(oxo)[?]yl]acetonitrile?
The CAS number of 2-[methyl(oxo)[?]yl]acetonitrile is 126234-02-4.
What is the molecular formula of 2-[methyl(oxo)[?]yl]acetonitrile?
The molecular formula of 2-[methyl(oxo)[?]yl]acetonitrile is C13H14N4O.
What is the molecular weight of 2-[methyl(oxo)[?]yl]acetonitrile?
The molecular weight of 2-[methyl(oxo)[?]yl]acetonitrile is 242.11676 g/mol.
Where can I buy 2-[methyl(oxo)[?]yl]acetonitrile?
You can request a quote for 2-[methyl(oxo)[?]yl]acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[methyl(oxo)[?]yl]acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[methyl(oxo)[?]yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.