Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
TL;DR: Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 150535-95-8) is a chemical compound with molecular formula C10H11N5O2S and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate, methyl 2-((4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl {[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C10H11N5O2S |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.06335 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 150535-95-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2 |
| InChIKey | BKQHBRIPRHQTNH-UHFFFAOYSA-N |
Product Overview
Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 150535-95-8), with molecular formula C10H11N5O2S and molecular weight 265.06 g/mol. IUPAC: methyl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
Property Insights of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate has 1 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-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 150535-95-8.
What is the molecular formula of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate is C10H11N5O2S.
What is the molecular weight of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 265.06 g/mol.
Where can I buy Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.