![2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole structure](/static/products/489/489401-62-9.png)
2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole
TL;DR: 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole (CAS 489401-62-9) is a chemical compound with molecular formula C20H13N7S2 and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole, 3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C20H13N7S2 |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06738 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 489401-62-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)CSC5=NC6=CC=CC=C6S5 |
| InChIKey | QLLPLUDIQUBSSZ-UHFFFAOYSA-N |
Product Overview
2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole (CAS 489401-62-9), with molecular formula C20H13N7S2 and molecular weight 415.07 g/mol. IUPAC: 2-[(10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole
Property Insights of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole
The XLogP value of 5.0 indicates that 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole. Following Lipinski's Rule of Five, 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole 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 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole?
The CAS number of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole is 489401-62-9.
What is the molecular formula of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole?
The molecular formula of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole is C20H13N7S2.
What is the molecular weight of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole?
The molecular weight of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole is 415.07 g/mol.
Where can I buy 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole?
You can request a quote for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl)thio)benzo[d]thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.