phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate
TL;DR: phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate (CAS 307524-85-2) is a chemical compound with molecular formula C12H11N3O4S and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate
Also Known As: AB00074455-01, benzyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate, benzyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate, phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate, benzyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio]acetate
| Molecular Formula | C12H11N3O4S |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.04703 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 307524-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NNC(=O)NC2=O |
| InChIKey | ZPDUFMIZOIWGEM-UHFFFAOYSA-N |
Product Overview
phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate (CAS 307524-85-2), with molecular formula C12H11N3O4S and molecular weight 293.05 g/mol. IUPAC: benzyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate
Property Insights of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate. Following Lipinski's Rule of Five, phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate has 2 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 phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate?
The CAS number of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate is 307524-85-2.
What is the molecular formula of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate?
The molecular formula of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate is C12H11N3O4S.
What is the molecular weight of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate?
The molecular weight of phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate is 293.05 g/mol.
Where can I buy phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate?
You can request a quote for phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for phenylmethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.