4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
TL;DR: 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one (CAS 126234-14-8) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methyl[?]one, O-Tibo, 4567-Tmb, 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.10587 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.10587 Da |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
| SMILES | CC1CN2C3=C(CN1)C=CC=C3NC2=O |
| InChIKey | GTNCOIIPIKEYMW-UHFFFAOYSA-N |
Chemical Property Profile of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
Property Insights of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one. With a topological polar surface area (TPSA) of 44.4 Ų, 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one has 2 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 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one?
The CAS number of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one is 126234-14-8.
What is the molecular formula of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one?
The molecular formula of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one is C11H13N3O.
What is the molecular weight of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one?
The molecular weight of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one is 203.10587 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one?
You can request a quote for 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.