![Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate structure](/static/products/863/863460-54-2.png)
Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
TL;DR: Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate (CAS 863460-54-2) is a chemical compound with molecular formula C13H10FN5O2S and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
Also Known As: F0682-0878, methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate, methyl 2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetate, methyl 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetate
| Molecular Formula | C13H10FN5O2S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 1.6147 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.05392 |
| Heavy Atoms | 22 |
| Complexity | 820.91345 |
Chemical Identifiers
| CAS Number | 863460-54-2 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F |
Product Overview
Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate (CAS 863460-54-2), with molecular formula C13H10FN5O2S and molecular weight 319.05 g/mol. IUPAC: methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate.
Chemical Property Profile of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
Property Insights of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
The XLogP value of 1.6147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 7 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 Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate?
The CAS number of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate is 863460-54-2.
What is the molecular formula of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate?
The molecular formula of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate is C13H10FN5O2S.
What is the molecular weight of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate?
The molecular weight of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate is 319.05 g/mol.
Where can I buy Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate?
You can request a quote for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.