![2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole structure](/static/products/577/577698-23-8.png)
2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole
TL;DR: 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole (CAS 577698-23-8) is a chemical compound with molecular formula C20H13N7OS and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-phenyl-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-benzoxazole
Also Known As: 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H13N7OS |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.8967 |
| Topological Polar Surface Area | 86.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.09024 |
| Heavy Atoms | 29 |
| Complexity | 1435.1405 |
Chemical Identifiers
| CAS Number | 577698-23-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5 |
Product Overview
2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole (CAS 577698-23-8), with molecular formula C20H13N7OS and molecular weight 399.09 g/mol. IUPAC: 2-[(10-phenyl-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-benzoxazole.
Chemical Property Profile of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole
Property Insights of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole
The XLogP value of 3.8967 indicates that 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole. Following Lipinski's Rule of Five, 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole 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[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole?
The CAS number of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole is 577698-23-8.
What is the molecular formula of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole?
The molecular formula of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole is C20H13N7OS.
What is the molecular weight of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole?
The molecular weight of 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole is 399.09 g/mol.
Where can I buy 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole?
You can request a quote for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole 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[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.