![3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine structure](/static/products/863/863452-99-7.png)
3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine
TL;DR: 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine (CAS 863452-99-7) is a chemical compound with molecular formula C18H15N5S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine
Also Known As: ChemDiv3_011502, IDI1_029060, 3-benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine, BRD-K02964988-001-01-4, 3-benzyl-7-(benzylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H15N5S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.5619 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.10483 |
| Heavy Atoms | 24 |
| Complexity | 937.46545 |
Chemical Identifiers
| CAS Number | 863452-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SCC4=CC=CC=C4)N=N2 |
Product Overview
3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine (CAS 863452-99-7), with molecular formula C18H15N5S and molecular weight 333.10 g/mol. IUPAC: 3-benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine.
Chemical Property Profile of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine
Property Insights of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine
The XLogP value of 3.5619 indicates that 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine has 0 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 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine?
The CAS number of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine is 863452-99-7.
What is the molecular formula of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine?
The molecular formula of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine is C18H15N5S.
What is the molecular weight of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine?
The molecular weight of 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine is 333.10 g/mol.
Where can I buy 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine?
You can request a quote for 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-7-benzylsulfanyltriazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.