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5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine
TL;DR: 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine (CAS 31736-48-8) is a chemical compound with molecular formula C12H10N6S and molecular weight 270.07 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]triazin-7-amine
Also Known As: 5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine, 5-benzylsulfanyl-pyrimido[5,4-e][1,2,4]triazin-7-ylamine, (5-benzylsulfanyl-pyrimido[5,6-e][1,2,4]triazin-7-yl)-amine, 5-(benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazin-7-ylamine, 5-(BENZYLSULFANYL)PYRIMIDO[5,4-E][1,2,4]TRIAZIN-7-AMINE
| Molecular Formula | C12H10N6S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.06876 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 31736-48-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN=N3)N |
| InChIKey | XDALIPPADAKFLB-UHFFFAOYSA-N |
Product Overview
5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine (CAS 31736-48-8), with molecular formula C12H10N6S and molecular weight 270.07 g/mol. IUPAC: 5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine.
Chemical Property Profile of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine
Property Insights of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine. Following Lipinski's Rule of Five, 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine has 1 hydrogen bond donor(s) and 7 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-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine?
The CAS number of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine is 31736-48-8.
What is the molecular formula of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine?
The molecular formula of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine is C12H10N6S.
What is the molecular weight of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine?
The molecular weight of 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine is 270.07 g/mol.
Where can I buy 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine?
You can request a quote for 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.