TIBO, 9Cl-6-DMA Thione deriv.
TL;DR: TIBO, 9Cl-6-DMA Thione deriv. (CAS 162929-97-7) is a chemical compound with molecular formula C15H18ClN3S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-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, 9Cl-6-DMA Thione deriv., chloro(3-methylbut-2-enyl)[?]thione, 9-Chloro-4,5,6,7-tetrahydro-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-thione, 4,5,6,7-Tetrahydro-6-(3-methyl-2-butenyl)-9-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 4-Chloro-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione
| Molecular Formula | C15H18ClN3S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 4.13409 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.091 |
| Heavy Atoms | 20 |
| Complexity | 737.39197 |
Chemical Identifiers
| CAS Number | 162929-97-7 |
|---|---|
| SMILES | CC(=CCN1CCN2C3=C(C1)C=C(C=C3NC2=S)Cl)C |
Product Overview
TIBO, 9Cl-6-DMA Thione deriv. (CAS 162929-97-7), with molecular formula C15H18ClN3S and molecular weight 307.09 g/mol. IUPAC: 6-chloro-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, 9Cl-6-DMA Thione deriv.
Property Insights of TIBO, 9Cl-6-DMA Thione deriv.
The XLogP value of 4.13409 indicates that TIBO, 9Cl-6-DMA Thione deriv. 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, 9Cl-6-DMA Thione deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO, 9Cl-6-DMA Thione deriv. 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, 9Cl-6-DMA Thione deriv.?
The CAS number of TIBO, 9Cl-6-DMA Thione deriv. is 162929-97-7.
What is the molecular formula of TIBO, 9Cl-6-DMA Thione deriv.?
The molecular formula of TIBO, 9Cl-6-DMA Thione deriv. is C15H18ClN3S.
What is the molecular weight of TIBO, 9Cl-6-DMA Thione deriv.?
The molecular weight of TIBO, 9Cl-6-DMA Thione deriv. is 307.09 g/mol.
Where can I buy TIBO, 9Cl-6-DMA Thione deriv.?
You can request a quote for TIBO, 9Cl-6-DMA Thione deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO, 9Cl-6-DMA Thione deriv.?
Yes, KEHONG BIO provides custom synthesis services for TIBO, 9Cl-6-DMA Thione deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.