![Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate structure](/static/products/863/863460-59-7.png)
Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate
TL;DR: Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate (CAS 863460-59-7) is a chemical compound with molecular formula C14H12FN5O2S and molecular weight 333.07 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]sulfanylpropanoate
Also Known As: methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate, methyl 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}propanoate, methyl 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]thio}propanoate, 2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]propanoic acid methyl ester, 2-[[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]thio]propionic acid methyl ester
| Molecular Formula | C14H12FN5O2S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.0032 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.06958 |
| Heavy Atoms | 23 |
| Complexity | 851.9998 |
Chemical Identifiers
| CAS Number | 863460-59-7 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F |
Product Overview
Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate (CAS 863460-59-7), with molecular formula C14H12FN5O2S and molecular weight 333.07 g/mol. IUPAC: methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate.
Chemical Property Profile of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate
Property Insights of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate
The XLogP value of 2.0032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate. 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]sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate 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]sulfanylpropanoate?
The CAS number of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate is 863460-59-7.
What is the molecular formula of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate?
The molecular formula of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate is C14H12FN5O2S.
What is the molecular weight of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate?
The molecular weight of Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate is 333.07 g/mol.
Where can I buy Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate?
You can request a quote for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate 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]sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.