![2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide structure](/static/products/896/896678-65-2.png)
2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
TL;DR: 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CAS 896678-65-2) is a chemical compound with molecular formula C16H12FN7O2S and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide, F0682-0852, 2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C16H12FN7O2S |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 2.37682 |
| Topological Polar Surface Area | 111.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.0757 |
| Heavy Atoms | 27 |
| Complexity | 1109.6199 |
Chemical Identifiers
| CAS Number | 896678-65-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F |
Product Overview
2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CAS 896678-65-2), with molecular formula C16H12FN7O2S and molecular weight 385.08 g/mol. IUPAC: 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Property Insights of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
The XLogP value of 2.37682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide. The TPSA of 111.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide has 1 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-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The CAS number of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide is 896678-65-2.
What is the molecular formula of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The molecular formula of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide is C16H12FN7O2S.
What is the molecular weight of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The molecular weight of 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide is 385.08 g/mol.
Where can I buy 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
You can request a quote for 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.