![5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine structure](/static/products/3179/31791-01-2.webp)
5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
TL;DR: 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CAS 31791-01-2) is a chemical compound with molecular formula C13H13N5S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-1-methyl-2H-pyrimido[5,4-e][1,2,4]triazine
Also Known As: 5-(benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine, 5-benzylsulfanyl-1-methyl-2H-pyrimido[5,4-e][1,2,4]triazine, Pyrimido[5,4-e]-1,2,4-triazine,1,2-dihydro-1-methyl-5-[(phenylmethyl)thio]-
| Molecular Formula | C13H13N5S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08917 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 31791-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC=N2)SCC3=CC=CC=C3)N=CN1 |
| InChIKey | BLOBGZLERJCRIF-UHFFFAOYSA-N |
Product Overview
5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CAS 31791-01-2), with molecular formula C13H13N5S and molecular weight 271.09 g/mol. IUPAC: 5-benzylsulfanyl-1-methyl-2H-pyrimido[5,4-e][1,2,4]triazine.
Chemical Property Profile of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
Property Insights of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
The XLogP value of 3.0 indicates that 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine. Following Lipinski's Rule of Five, 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine has 1 hydrogen bond donor(s) and 5 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 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The CAS number of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is 31791-01-2.
What is the molecular formula of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The molecular formula of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is C13H13N5S.
What is the molecular weight of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The molecular weight of 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is 271.09 g/mol.
Where can I buy 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
You can request a quote for 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylsulfanyl)-1-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.