RefChem:236941
TL;DR: RefChem:236941 (CAS 117740-58-6) is a chemical compound with molecular formula C20H26N6O2 and molecular weight 382.21173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1-(2-piperidin-1-ylethyl)-6-propyltriazolo[4,5-d]pyrimidine-5,7-dione
Also Known As: 1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4-phenyl-1-(2-(1-piperidinyl)ethyl)-6-propyl-, 4-phenyl-1-(2-piperidin-1-ylethyl)-6-propyltriazolo[4,5-d]pyrimidine-5,7-dione, 4-Phenyl-1-[2-(piperidin-1-yl)ethyl]-6-propyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Technical Specifications
| Molecular Formula | C20H26N6O2 |
| Molecular Weight | 382.21173 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.21173 Da |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
| SMILES | CCCN1C(=O)C2=C(N=NN2CCN3CCCCC3)N(C1=O)C4=CC=CC=C4 |
| InChIKey | LXTMSERNFXPMFU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:236941
Property Insights of RefChem:236941
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236941. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236941. Following Lipinski's Rule of Five, RefChem:236941 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
What is the CAS number of RefChem:236941?
The CAS number of RefChem:236941 is 117740-58-6.
What is the molecular formula of RefChem:236941?
The molecular formula of RefChem:236941 is C20H26N6O2.
What is the molecular weight of RefChem:236941?
The molecular weight of RefChem:236941 is 382.21173 g/mol.
Where can I buy RefChem:236941?
You can request a quote for RefChem:236941 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:236941?
Yes, CoreyChem provides custom synthesis services for RefChem:236941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.