![2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide structure](/static/products/863/863453-17-2.png)
2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
TL;DR: 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide (CAS 863453-17-2) is a chemical compound with molecular formula C13H11FN6OS and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: ChemDiv3_011590, IDI1_029148, 2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide, BRD-K59769521-001-01-3, 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
| Molecular Formula | C13H11FN6OS |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 0.9861 |
| Topological Polar Surface Area | 99.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.06992 |
| Heavy Atoms | 22 |
| Complexity | 819.0133 |
Chemical Identifiers
| CAS Number | 863453-17-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C3=C(C(=NC=N3)SCC(=O)N)N=N2)F |
Product Overview
2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide (CAS 863453-17-2), with molecular formula C13H11FN6OS and molecular weight 318.07 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Property Insights of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
The XLogP value of 0.9861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide. The TPSA of 99.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide. Following Lipinski's Rule of Five, 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide has 1 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 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
The CAS number of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide is 863453-17-2.
What is the molecular formula of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
The molecular formula of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide is C13H11FN6OS.
What is the molecular weight of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
The molecular weight of 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide is 318.07 g/mol.
Where can I buy 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
You can request a quote for 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide 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)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.