![Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate structure](/static/products/301/301223-31-4.png)
Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
TL;DR: Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate (CAS 301223-31-4) is a chemical compound with molecular formula C10H15N3O4S and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate
Also Known As: BAS 00662409, pentyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate, pentyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate, pentyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate, pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
| Molecular Formula | C10H15N3O4S |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 0.2837 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.07834 |
| Heavy Atoms | 18 |
| Complexity | 496.3864 |
Chemical Identifiers
| CAS Number | 301223-31-4 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NNC(=O)NC1=O |
Product Overview
Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate (CAS 301223-31-4), with molecular formula C10H15N3O4S and molecular weight 273.08 g/mol. IUPAC: pentyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
Property Insights of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
The XLogP value of 0.2837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]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 Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate?
The CAS number of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate is 301223-31-4.
What is the molecular formula of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate?
The molecular formula of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate is C10H15N3O4S.
What is the molecular weight of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate?
The molecular weight of Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate is 273.08 g/mol.
Where can I buy Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate?
You can request a quote for Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.