TIBO analog
TL;DR: TIBO analog (CAS 131515-10-1) is a chemical compound with molecular formula C16H17N3O and molecular weight 267.13718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-[(E)-pent-2-en-4-ynyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: TIBO analog, methyl-[(E)-pent-2-en-4-ynyl][?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(2-penten-4-ynyl)-, (E)-(1)-, 11-methyl-10-[(2E)-pent-2-en-4-yn-1-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one, 4,5,6,7-Tetrahydro-5-methyl-6-[(E)-2-penten-4-ynyl]imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Technical Specifications
| Molecular Formula | C16H17N3O |
| Molecular Weight | 267.13718 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.13718 Da |
| Heavy Atoms | 20 |
| Complexity | 464.0 |
| SMILES | CC1CN2C3=C(CN1C/C=C/C#C)C=CC=C3NC2=O |
| InChIKey | ZDQLRHRJCDBSNV-SNAWJCMRSA-N |
Chemical Property Profile of TIBO analog
Property Insights of TIBO analog
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TIBO analog. With a topological polar surface area (TPSA) of 35.6 Ų, TIBO analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO analog 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 TIBO analog?
The CAS number of TIBO analog is 131515-10-1.
What is the molecular formula of TIBO analog?
The molecular formula of TIBO analog is C16H17N3O.
What is the molecular weight of TIBO analog?
The molecular weight of TIBO analog is 267.13718 g/mol.
Where can I buy TIBO analog?
You can request a quote for TIBO analog directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TIBO analog?
Yes, CoreyChem provides custom synthesis services for TIBO analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.