![2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/1005/1005579-46-3.webp)
2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005579-46-3) is a chemical compound with molecular formula C13H13BrN8 and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C13H13BrN8 |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 1.63514 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.04465 |
| Heavy Atoms | 22 |
| Complexity | 1008.2375 |
Chemical Identifiers
| CAS Number | 1005579-46-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=NN3C=NC4=C(C3=N2)C=NN4C)C)Br |
Product Overview
2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005579-46-3), with molecular formula C13H13BrN8 and molecular weight 360.04 g/mol. IUPAC: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 1.63514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine 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 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is 1005579-46-3.
What is the molecular formula of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is C13H13BrN8.
What is the molecular weight of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is 360.04 g/mol.
Where can I buy 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.