![3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid structure](/static/products/840/840455-77-8.png)
3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid
TL;DR: 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid (CAS 840455-77-8) is a chemical compound with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
Also Known As: 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid, 3-(5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid, 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid, 3-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid, 3-(5-Methyl-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
| Molecular Formula | C9H10N4O3 |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | -0.25678 |
| Topological Polar Surface Area | 100.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07529 |
| Heavy Atoms | 16 |
| Complexity | 598.3102 |
Chemical Identifiers
| CAS Number | 840455-77-8 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)CCC(=O)O |
Product Overview
3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid (CAS 840455-77-8), with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol. IUPAC: 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.
Chemical Property Profile of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid
Property Insights of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid
The XLogP value of -0.25678 indicates that 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid 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 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid?
The CAS number of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid is 840455-77-8.
What is the molecular formula of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid?
The molecular formula of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid is C9H10N4O3.
What is the molecular weight of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid?
The molecular weight of 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid is 222.08 g/mol.
Where can I buy 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid?
You can request a quote for 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.