![2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione structure](/static/products/836/836629-75-5.png)
2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione
TL;DR: 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione (CAS 836629-75-5) is a chemical compound with molecular formula C25H15ClFN5O2 and molecular weight 471.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]isoindole-1,3-dione
Also Known As: 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione, 2-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]isoindole-1,3-dione, 2-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1H-isoindole-1,3(2H)-dione, 2-[5-(4-CHLOROPHENYL)-7-(4-FLUOROPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C25H15ClFN5O2 |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 4.9272 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.08984 |
| Heavy Atoms | 34 |
| Complexity | 1459.7422 |
Chemical Identifiers
| CAS Number | 836629-75-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NN4C(C=C(NC4=N3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)F |
Product Overview
2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione (CAS 836629-75-5), with molecular formula C25H15ClFN5O2 and molecular weight 471.09 g/mol. IUPAC: 2-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]isoindole-1,3-dione.
Chemical Property Profile of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione
Property Insights of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione
The XLogP value of 4.9272 indicates that 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione has 1 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 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione?
The CAS number of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione is 836629-75-5.
What is the molecular formula of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione?
The molecular formula of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione is C25H15ClFN5O2.
What is the molecular weight of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione?
The molecular weight of 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione is 471.09 g/mol.
Where can I buy 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione?
You can request a quote for 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.