![8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/1005/1005631-18-4.webp)
8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005631-18-4) is a chemical compound with molecular formula C19H13F3N6S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-12-phenyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C19H13F3N6S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 4.73372 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.08746 |
| Heavy Atoms | 29 |
| Complexity | 1363.888 |
Chemical Identifiers
| CAS Number | 1005631-18-4 |
|---|---|
| SMILES | CC1=C(C2=C(S1)N=CN3C2=NC(=N3)C4=NN(C(=C4)C(F)(F)F)C)C5=CC=CC=C5 |
Product Overview
8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005631-18-4), with molecular formula C19H13F3N6S and molecular weight 414.09 g/mol. IUPAC: 11-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-12-phenyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 4.73372 indicates that 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-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 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 1005631-18-4.
What is the molecular formula of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C19H13F3N6S.
What is the molecular weight of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 414.09 g/mol.
Where can I buy 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-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 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.