![6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/880/880095-91-0.png)
6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 880095-91-0) is a chemical compound with molecular formula C13H11ClFN5O and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[(4-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-chloro-2-[(4-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, 6-chloro-2-[(4-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C13H11ClFN5O |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.13062 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.06363 |
| Heavy Atoms | 21 |
| Complexity | 855.3644 |
Chemical Identifiers
| CAS Number | 880095-91-0 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)F)Cl |
Product Overview
6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 880095-91-0), with molecular formula C13H11ClFN5O and molecular weight 307.06 g/mol. IUPAC: 6-chloro-2-[(4-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 2.13062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 2 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 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 880095-91-0.
What is the molecular formula of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C13H11ClFN5O.
What is the molecular weight of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 307.06 g/mol.
Where can I buy 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-2-((4-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.