![6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol structure](/static/products/827/827003-13-4.png)
6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
TL;DR: 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol (CAS 827003-13-4) is a chemical compound with molecular formula C20H17ClFN5O and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 6-benzyl-2-((2-chloro-6-fluorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 6-BENZYL-2-{[(2-CHLORO-6-FLUOROPHENYL)METHYL]AMINO}-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE
| Molecular Formula | C20H17ClFN5O |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 3.72142 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.11057 |
| Heavy Atoms | 28 |
| Complexity | 1182.4185 |
Chemical Identifiers
| CAS Number | 827003-13-4 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4 |
Product Overview
6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol (CAS 827003-13-4), with molecular formula C20H17ClFN5O and molecular weight 397.11 g/mol. IUPAC: 6-benzyl-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Property Insights of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
The XLogP value of 3.72142 indicates that 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol. Following Lipinski's Rule of Five, 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 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-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
The CAS number of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol is 827003-13-4.
What is the molecular formula of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
The molecular formula of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol is C20H17ClFN5O.
What is the molecular weight of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
The molecular weight of 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol is 397.11 g/mol.
Where can I buy 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
You can request a quote for 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.