5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-
TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- (CAS 135445-86-2) is a chemical compound with molecular formula C17H15F3N6O and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]purin-5-one
Also Known As: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-, 5H-1,2,4-Triazolo[3,4-i]purin-5-one,6,9-dihydro-9-methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-, 9-methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]purin-5-one, 9-Methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-5-one, RefChem:305202
| Molecular Formula | C17H15F3N6O |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 2.8735 |
| Topological Polar Surface Area | 70.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.12595 |
| Heavy Atoms | 27 |
| Complexity | 1200.0714 |
Chemical Identifiers
| CAS Number | 135445-86-2 |
|---|---|
| SMILES | CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)C(F)(F)F)N(C=N2)C |
Product Overview
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- (CAS 135445-86-2), with molecular formula C17H15F3N6O and molecular weight 376.13 g/mol. IUPAC: 9-methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]purin-5-one.
Chemical Property Profile of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-
Property Insights of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-
The XLogP value of 2.8735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-. The TPSA of 70.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-. Following Lipinski's Rule of Five, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- has 0 hydrogen bond donor(s) and 4 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 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-?
The CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- is 135445-86-2.
What is the molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-?
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- is C17H15F3N6O.
What is the molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-?
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- is 376.13 g/mol.
Where can I buy 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-?
You can request a quote for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.