TIBO derivative
TL;DR: TIBO derivative (CAS 131515-01-0) is a chemical compound with molecular formula C21H29N3O and molecular weight 339.23105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[(2E)-3,7-dimethylocta-2,6-dienyl]-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: TIBO derivative, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 6-(3,7-dimethyl-2,6-octadienyl)-4,5,6,7-tetrahydro-5-methyl-, (E)-(1)-, [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-[?]one, 10-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-11-methyl-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)-3,7-dimethyl-2,6-octadienyl]imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Technical Specifications
| Molecular Formula | C21H29N3O |
| Molecular Weight | 339.23105 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.23105 Da |
| Heavy Atoms | 25 |
| Complexity | 549.0 |
| SMILES | CC1CN2C3=C(CN1C/C=C(\C)/CCC=C(C)C)C=CC=C3NC2=O |
| InChIKey | AEQBIUWYQVXHJN-LFIBNONCSA-N |
Chemical Property Profile of TIBO derivative
Property Insights of TIBO derivative
The XLogP value of 4.1 indicates that TIBO derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, TIBO derivative exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO derivative 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 derivative?
The CAS number of TIBO derivative is 131515-01-0.
What is the molecular formula of TIBO derivative?
The molecular formula of TIBO derivative is C21H29N3O.
What is the molecular weight of TIBO derivative?
The molecular weight of TIBO derivative is 339.23105 g/mol.
Where can I buy TIBO derivative?
You can request a quote for TIBO derivative directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TIBO derivative?
Yes, CoreyChem provides custom synthesis services for TIBO derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.