![3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one structure](/static/products/4288/428849-26-7.webp)
3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one
TL;DR: 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one (CAS 428849-26-7) is a chemical compound with molecular formula C18H15N5O and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one
Also Known As: 3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one, SDCCGSBI-0658342.P001, 3,6-Dibenzyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, A2589/0110259, 3,6-bisbenzyl-6-hydro-1,2,3-triazolo[5,4-d]pyrimidin-7-one
| Molecular Formula | C18H15N5O |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.12766 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 428849-26-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(C2=O)N=NN3CC4=CC=CC=C4 |
| InChIKey | HDEZOKDQFBVVAI-UHFFFAOYSA-N |
Product Overview
3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one (CAS 428849-26-7), with molecular formula C18H15N5O and molecular weight 317.13 g/mol. IUPAC: 3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one
Property Insights of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one has 0 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 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one is 428849-26-7.
What is the molecular formula of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one is C18H15N5O.
What is the molecular weight of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one is 317.13 g/mol.
Where can I buy 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dibenzyltriazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.