![3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one structure](/static/products/1164/1164550-65-5.webp)
3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
TL;DR: 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 1164550-65-5) is a chemical compound with molecular formula C20H17N5O and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-[(E)-3-phenylprop-2-enyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 3-benzyl-6-[(2E)-3-phenylprop-2-en-1-yl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-benzyl-6-[(E)-3-phenylprop-2-enyl]triazolo[4,5-d]pyrimidin-7-one, 3-benzyl-6-[(E)-3-phenyl-2-propenyl]-1,2,3,4,6-pentaaza-3,6-dihydro-7H-inden-7-one
| Molecular Formula | C20H17N5O |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.7497 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1433 |
| Heavy Atoms | 26 |
| Complexity | 1097.4718 |
Chemical Identifiers
| CAS Number | 1164550-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)C/C=C/C4=CC=CC=C4)N=N2 |
Product Overview
3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 1164550-65-5), with molecular formula C20H17N5O and molecular weight 343.14 g/mol. IUPAC: 3-benzyl-6-[(E)-3-phenylprop-2-enyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Property Insights of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
The XLogP value of 2.7497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-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-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The CAS number of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 1164550-65-5.
What is the molecular formula of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular formula of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is C20H17N5O.
What is the molecular weight of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular weight of 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 343.14 g/mol.
Where can I buy 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
You can request a quote for 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-cinnamyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.