![3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one structure](/static/products/6140/61404-54-4.webp)
3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
TL;DR: 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one (CAS 61404-54-4) is a chemical compound with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one
Also Known As: 3-sulfanylidene-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one, 3-sulfanylidene-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,2,4-, 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one, 3-Sulfanylidene-6-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1,2,4-triazin-5(2H)-one, 3-Thioxo-6-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1,2,4-triazin-5(2H)-one #
| Molecular Formula | C13H15N3O4S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 1.44409 |
| Topological Polar Surface Area | 89.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.07834 |
| Heavy Atoms | 21 |
| Complexity | 728.5621 |
Chemical Identifiers
| CAS Number | 61404-54-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2=NNC(=S)NC2=O |
Product Overview
3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one (CAS 61404-54-4), with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol. IUPAC: 3-sulfanylidene-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
Property Insights of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
The XLogP value of 1.44409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one. The TPSA of 89.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one 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 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The CAS number of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is 61404-54-4.
What is the molecular formula of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The molecular formula of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is C13H15N3O4S.
What is the molecular weight of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The molecular weight of 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is 309.08 g/mol.
Where can I buy 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
You can request a quote for 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-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 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Thioxo-6-[3,4,5-trimethoxybenzyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.