![2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine structure](/static/products/866/866018-61-3.png)
2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
TL;DR: 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine (CAS 866018-61-3) is a chemical compound with molecular formula C16H16N6O3S and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-4-nitrophenyl]morpholine
Also Known As: 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine, 4-{3-[2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-4-nitrophenyl}morpholine, 4-[3-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-4-nitrophenyl]morpholine, 2-(Methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)1,2,4triazolo1,5-apyrimidine, 4-[3-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-4-nitro-phenyl]morpholine
| Molecular Formula | C16H16N6O3S |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 2.258 |
| Topological Polar Surface Area | 98.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.10046 |
| Heavy Atoms | 26 |
| Complexity | 969.7735 |
Chemical Identifiers
| CAS Number | 866018-61-3 |
|---|---|
| SMILES | CSC1=NN2C=CC(=NC2=N1)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-] |
Product Overview
2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine (CAS 866018-61-3), with molecular formula C16H16N6O3S and molecular weight 372.10 g/mol. IUPAC: 4-[3-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-4-nitrophenyl]morpholine.
Chemical Property Profile of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Property Insights of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
The XLogP value of 2.258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine. The TPSA of 98.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 8 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 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The CAS number of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is 866018-61-3.
What is the molecular formula of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular formula of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is C16H16N6O3S.
What is the molecular weight of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular weight of 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is 372.10 g/mol.
Where can I buy 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
You can request a quote for 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylsulfanyl)-5-(5-morpholino-2-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.