![5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine structure](/static/products/2130/21308-98-5.webp)
5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine
TL;DR: 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine (CAS 21308-98-5) is a chemical compound with molecular formula C12H9N5S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazine
Also Known As: 5-Benzylthiopyrimido<5,4-e>as-triazin, 5-(benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine, 5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazine, 5-benzylsulfanyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-2,4,7,9,11-pentaene
| Molecular Formula | C12H9N5S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.05786 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 21308-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN=N3 |
| InChIKey | SQUPLDREBOVBBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine (CAS 21308-98-5), with molecular formula C12H9N5S and molecular weight 255.06 g/mol. IUPAC: 5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazine.
Chemical Property Profile of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine
Property Insights of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine. Following Lipinski's Rule of Five, 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine has 0 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)pyrimido[5,4-e][1,2,4]triazine?
The CAS number of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine is 21308-98-5.
What is the molecular formula of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine?
The molecular formula of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine is C12H9N5S.
What is the molecular weight of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine?
The molecular weight of 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine is 255.06 g/mol.
Where can I buy 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine?
You can request a quote for 5-(Benzylsulfanyl)pyrimido[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)pyrimido[5,4-e][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.