TIBO analog
TL;DR: TIBO analog (CAS 136723-27-8) is a chemical compound with molecular formula C15H20N2 and molecular weight 228.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Also Known As: TIBO analog, methyl(propyl)[?], (+-)-3,4,5,6-Tetrahydro-4-methyl-5-propyl-1H-azepino(5,4,3-cd)indole Monohydrochloride, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-4-methyl-5-propyl-, monohydrochloride, 3,4,5,6-Tetrahydro-4-methyl-5-propyl-1H-azepino[5,4,3-cd]indole
| Molecular Formula | C15H20N2 |
|---|---|
| Molecular Weight | 228.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.16264 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 136723-27-8 |
|---|---|
| SMILES | CCCN1CC2=C3C(=CNC3=CC=C2)CC1C |
| InChIKey | JUUWHTWSYWGMDK-UHFFFAOYSA-N |
Product Overview
TIBO analog (CAS 136723-27-8), with molecular formula C15H20N2 and molecular weight 228.16 g/mol. IUPAC: 11-methyl-10-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.
Chemical Property Profile of TIBO analog
Property Insights of TIBO analog
The XLogP value of 3.2 indicates that TIBO analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 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 1 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 analog?
The CAS number of TIBO analog is 136723-27-8.
What is the molecular formula of TIBO analog?
The molecular formula of TIBO analog is C15H20N2.
What is the molecular weight of TIBO analog?
The molecular weight of TIBO analog is 228.16 g/mol.
Where can I buy TIBO analog?
You can request a quote for TIBO analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO analog?
Yes, KEHONG BIO provides custom synthesis services for TIBO analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.