TIBO
TL;DR: TIBO (CAS 257891-71-7) is a chemical compound with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: TIBO, TIBO-R 82913, R 82913, chloro-methyl-(3-methylbut-2-enyl)[?]thione, 9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
| Molecular Formula | C16H20ClN3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.52259 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.10666 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-71-7 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC=C(C)C)C=C(C=C3NC2=S)Cl |
Product Overview
TIBO (CAS 257891-71-7), with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol. IUPAC: 6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione.
Chemical Property Profile of TIBO
Property Insights of TIBO
The XLogP value of 4.52259 indicates that TIBO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.96 Ų, TIBO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO 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?
The CAS number of TIBO is 257891-71-7.
What is the molecular formula of TIBO?
The molecular formula of TIBO is C16H20ClN3S.
What is the molecular weight of TIBO?
The molecular weight of TIBO is 321.11 g/mol.
Where can I buy TIBO?
You can request a quote for TIBO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO?
Yes, KEHONG BIO provides custom synthesis services for TIBO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.