![methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate structure](/static/products/896/896829-02-0.png)
methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
TL;DR: methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (CAS 896829-02-0) is a chemical compound with molecular formula C16H16BrN5O3 and molecular weight 405.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(3-bromophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate, methyl {2-[(3-bromobenzyl)amino]-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate, methyl 2-[2-[(3-bromophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C16H16BrN5O3 |
|---|---|
| Molecular Weight | 405.04 g/mol |
| LogP | 1.81612 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.04364 |
| Heavy Atoms | 25 |
| Complexity | 995.0891 |
Chemical Identifiers
| CAS Number | 896829-02-0 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)Br)CC(=O)OC |
Product Overview
methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (CAS 896829-02-0), with molecular formula C16H16BrN5O3 and molecular weight 405.04 g/mol. IUPAC: methyl 2-[2-[(3-bromophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Property Insights of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
The XLogP value of 1.81612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate has 2 hydrogen bond donor(s) and 6 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 methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The CAS number of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is 896829-02-0.
What is the molecular formula of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The molecular formula of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is C16H16BrN5O3.
What is the molecular weight of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The molecular weight of methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is 405.04 g/mol.
Where can I buy methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
You can request a quote for methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((3-bromobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.