2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL
TL;DR: 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL (CAS 107518-49-0) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, SDCCGSBI-0139152.P001, 2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 1-isopropyldihydropyrimidine-2,4(1h,3h)-dione, 2-BENZYLTHIO-5-METHYL-S-TRIAZOLO(1,5-A)PYRIMIDIN-7-OL
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.01832 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 763.1593 |
Chemical Identifiers
| CAS Number | 107518-49-0 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3 |
Product Overview
2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL (CAS 107518-49-0), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL
Property Insights of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL
The XLogP value of 2.01832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL. Following Lipinski's Rule of Five, 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL has 1 hydrogen bond donor(s) and 4 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 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
The CAS number of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL is 107518-49-0.
What is the molecular formula of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
The molecular formula of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL is C13H12N4OS.
What is the molecular weight of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
The molecular weight of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL is 272.07 g/mol.
Where can I buy 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
You can request a quote for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.