![1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE structure](/static/products/489/489463-47-0.png)
1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE
TL;DR: 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE (CAS 489463-47-0) is a chemical compound with molecular formula C21H15N7S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methylsulfanyl]-1,3-benzothiazole
Also Known As: 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE, 2-(((7-(p-tolyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]thiazole, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C21H15N7S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 4.67362 |
| Topological Polar Surface Area | 73.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.08304 |
| Heavy Atoms | 30 |
| Complexity | 1478.6019 |
Chemical Identifiers
| CAS Number | 489463-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5 |
Product Overview
1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE (CAS 489463-47-0), with molecular formula C21H15N7S2 and molecular weight 429.08 g/mol. IUPAC: 2-[[10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE
Property Insights of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE
The XLogP value of 4.67362 indicates that 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE. Following Lipinski's Rule of Five, 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE has 0 hydrogen bond donor(s) and 7 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 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE?
The CAS number of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE is 489463-47-0.
What is the molecular formula of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE?
The molecular formula of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE is C21H15N7S2.
What is the molecular weight of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE?
The molecular weight of 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE is 429.08 g/mol.
Where can I buy 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE?
You can request a quote for 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 1,3-BENZOTHIAZOL-2-YL {[7-(4-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.