![4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one structure](/static/products/869/869067-50-5.png)
4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
TL;DR: 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one (CAS 869067-50-5) is a chemical compound with molecular formula C12H19N5O2S and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
Also Known As: 4-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one, AB00579185-02, F1847-0012, 4-amino-3-((2-(azepan-1-yl)-2-oxoethyl)thio)-6-methyl-1,2,4-triazin-5(4H)-one, 4-amino-3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-4,5-dihydro-1,2,4-triazin-5-one
| Molecular Formula | C12H19N5O2S |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 0.15522 |
| Topological Polar Surface Area | 94.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.12595 |
| Heavy Atoms | 20 |
| Complexity | 537.13947 |
Chemical Identifiers
| CAS Number | 869067-50-5 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SCC(=O)N2CCCCCC2 |
Product Overview
4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one (CAS 869067-50-5), with molecular formula C12H19N5O2S and molecular weight 297.13 g/mol. IUPAC: 4-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
Property Insights of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
The XLogP value of 0.15522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one. The TPSA of 94.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one has 1 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 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one?
The CAS number of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one is 869067-50-5.
What is the molecular formula of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one?
The molecular formula of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one is C12H19N5O2S.
What is the molecular weight of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one?
The molecular weight of 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one is 297.13 g/mol.
Where can I buy 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one?
You can request a quote for 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.