![5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine structure](/static/products/3109/31098-21-2.webp)
5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
TL;DR: 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CAS 31098-21-2) is a chemical compound with molecular formula C14H15N5OS and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
Also Known As: 5-(benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine, 5-benzylsulfanyl-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine, 5-benzylsulfanyl-3-methoxymethyl-1,2-dihydro-pyrimido[5,4-e][1,2,4]triazine, Pyrimido[5,4-e]-1,2,4-triazine,1,2-dihydro-3-(methoxymethyl)-5-[(phenylmethyl)thio]-
| Molecular Formula | C14H15N5OS |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.09973 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 31098-21-2 |
|---|---|
| SMILES | COCC1=NC2=C(NN1)N=CN=C2SCC3=CC=CC=C3 |
| InChIKey | CNGZXMJUXVGISP-UHFFFAOYSA-N |
Product Overview
5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CAS 31098-21-2), with molecular formula C14H15N5OS and molecular weight 301.10 g/mol. IUPAC: 5-benzylsulfanyl-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine.
Chemical Property Profile of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
Property Insights of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine. Following Lipinski's Rule of Five, 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine 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 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The CAS number of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is 31098-21-2.
What is the molecular formula of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The molecular formula of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is C14H15N5OS.
What is the molecular weight of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The molecular weight of 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is 301.10 g/mol.
Where can I buy 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
You can request a quote for 5-(Benzylsulfanyl)-3-(methoxymethyl)-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)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylsulfanyl)-3-(methoxymethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.