6(3Me-2Penten-4yn)TIBO-2-one
TL;DR: 6(3Me-2Penten-4yn)TIBO-2-one (CAS 131613-17-7) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-[(E)-3-methylpent-2-en-4-ynyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: 6(3Me-2Penten-4yn)TIBO-2-one, methyl-[(E)-3-methylpent-2-en-4-ynyl][?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-penten-4-ynyl)-, (E)-(1)-, 11-methyl-10-(3-methylpent-2-en-4-yn-1-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one, 11-methyl-10-[(2E)-3-methylpent-2-en-4-yn-1-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Technical Specifications
| Molecular Formula | C17H19N3O |
| Molecular Weight | 281.1528 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1528 Da |
| Heavy Atoms | 21 |
| Complexity | 503.0 |
| SMILES | CC1CN2C3=C(CN1C/C=C(\C)/C#C)C=CC=C3NC2=O |
| InChIKey | PKYXXBMHZKYHSP-XYOKQWHBSA-N |
Chemical Property Profile of 6(3Me-2Penten-4yn)TIBO-2-one
Property Insights of 6(3Me-2Penten-4yn)TIBO-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6(3Me-2Penten-4yn)TIBO-2-one. With a topological polar surface area (TPSA) of 35.6 Ų, 6(3Me-2Penten-4yn)TIBO-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6(3Me-2Penten-4yn)TIBO-2-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 6(3Me-2Penten-4yn)TIBO-2-one?
The CAS number of 6(3Me-2Penten-4yn)TIBO-2-one is 131613-17-7.
What is the molecular formula of 6(3Me-2Penten-4yn)TIBO-2-one?
The molecular formula of 6(3Me-2Penten-4yn)TIBO-2-one is C17H19N3O.
What is the molecular weight of 6(3Me-2Penten-4yn)TIBO-2-one?
The molecular weight of 6(3Me-2Penten-4yn)TIBO-2-one is 281.1528 g/mol.
Where can I buy 6(3Me-2Penten-4yn)TIBO-2-one?
You can request a quote for 6(3Me-2Penten-4yn)TIBO-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6(3Me-2Penten-4yn)TIBO-2-one?
Yes, CoreyChem provides custom synthesis services for 6(3Me-2Penten-4yn)TIBO-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.