TIBO derivative
TL;DR: TIBO derivative (CAS 131515-01-0) is a chemical compound with molecular formula C21H29N3O and molecular weight 339.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H29N3O |
|---|---|
| Molecular Weight | 339.23 g/mol |
| LogP | 4.2264 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.23105 |
| Heavy Atoms | 25 |
| Complexity | 864.8838 |
Chemical Identifiers
| CAS Number | 131515-01-0 |
|---|---|
| SMILES | CC1CN2C3=C(CN1C/C=C(\C)/CCC=C(C)C)C=CC=C3NC2=O |
Product Overview
TIBO derivative (CAS 131515-01-0), with molecular formula C21H29N3O and molecular weight 339.23 g/mol. IUPAC: 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.
Chemical Property Profile of TIBO derivative
Property Insights of TIBO derivative
The XLogP value of 4.2264 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 41.03 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
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 339.23 g/mol.
Where can I buy TIBO derivative?
You can request a quote for TIBO derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO derivative?
Yes, KEHONG BIO provides custom synthesis services for TIBO derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.