RefChem:546575
TL;DR: RefChem:546575 (CAS 63059-40-5) is a chemical compound with molecular formula C8H8N4O3S and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Also Known As: [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-|7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid|(1,2,4)Triazolo(1,5-a)pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-|7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo(1,5-a)pyrimidine-6-carboxylic acid|5-methyl-2-(methylsulfanyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid|[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylicacid, 7-hydroxy-5-methyl-2-(methylthio)-|7-hydroxy-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid|7-Hydroxy-5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid|5-Methyl-2-(methylthio)-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid|7-hydroxy-5-methyl-2- -1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylicacid|1-Propanaminium, 2-[2-(diethylmethylammonio)ethoxy]-N,N-diethyl-N-methyl-, diiodide|5-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid|7-Hydroxy-5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid|Ammonium, (((2-(diethylmethylammonio)-1-methyl)ethoxy)ethyl)diethylmethyl-, diiodide|Ammonium, ((2-(2-(diethylmethylammonio)ethoxy)-2-methyl)ethyl)diethylmethyl-, diiodide|263-817-3|7-HYDROXY-5-METHYL-2-(METHYLSULFANYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID|EINECS 263-817-3|RefChem:546575|DTXCID701025848
| Molecular Formula | C8H8N4O3S |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.03171 |
| Heavy Atoms | 16 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 63059-40-5 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)SC)C(=O)O |
| InChIKey | VGBJZRYZAVXOPN-UHFFFAOYSA-N |
Product Overview
RefChem:546575 (CAS 63059-40-5), with molecular formula C8H8N4O3S and molecular weight 240.03 g/mol. IUPAC: 5-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
Chemical Property Profile of RefChem:546575
Property Insights of RefChem:546575
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:546575. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:546575. Following Lipinski's Rule of Five, RefChem:546575 has 2 hydrogen bond donor(s) and 5 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 RefChem:546575?
The CAS number of RefChem:546575 is 63059-40-5.
What is the molecular formula of RefChem:546575?
The molecular formula of RefChem:546575 is C8H8N4O3S.
What is the molecular weight of RefChem:546575?
The molecular weight of RefChem:546575 is 240.03 g/mol.
Where can I buy RefChem:546575?
You can request a quote for RefChem:546575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:546575?
Yes, KEHONG BIO provides custom synthesis services for RefChem:546575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.