TimTec1_006076
TL;DR: TimTec1_006076 (CAS 522652-62-6) is a chemical compound with molecular formula C19H16N4OS2 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: TimTec1_006076, A2992/0126087, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanone, 1-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-2-([1,2,4]TRIAZOLO[3,4-B][1,3]BENZOTHIAZOL-3-YLSULFANYL)-1-ETHANONE
| Molecular Formula | C19H16N4OS2 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 3.621 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.07657 |
| Heavy Atoms | 26 |
| Complexity | 1117.0889 |
Chemical Identifiers
| CAS Number | 522652-62-6 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
TimTec1_006076 (CAS 522652-62-6), with molecular formula C19H16N4OS2 and molecular weight 380.08 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of TimTec1_006076
Property Insights of TimTec1_006076
The XLogP value of 3.621 indicates that TimTec1_006076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, TimTec1_006076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006076 has 0 hydrogen bond donor(s) and 5 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 TimTec1_006076?
The CAS number of TimTec1_006076 is 522652-62-6.
What is the molecular formula of TimTec1_006076?
The molecular formula of TimTec1_006076 is C19H16N4OS2.
What is the molecular weight of TimTec1_006076?
The molecular weight of TimTec1_006076 is 380.08 g/mol.
Where can I buy TimTec1_006076?
You can request a quote for TimTec1_006076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006076?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.