![2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione structure](/static/products/100/1008465-53-9.png)
2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione (CAS 1008465-53-9) is a chemical compound with molecular formula C19H18ClN5O3 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione, 2-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]hexahydro-1H-isoindole-1,3(2H)-dione, 2-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C19H18ClN5O3 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 2.5427 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.1098 |
| Heavy Atoms | 28 |
| Complexity | 961.9554 |
Chemical Identifiers
| CAS Number | 1008465-53-9 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=NN4C(CC(=O)NC4=N3)C5=CC=C(C=C5)Cl |
Product Overview
2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione (CAS 1008465-53-9), with molecular formula C19H18ClN5O3 and molecular weight 399.11 g/mol. IUPAC: 2-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.5427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-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-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione is 1008465-53-9.
What is the molecular formula of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione is C19H18ClN5O3.
What is the molecular weight of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione is 399.11 g/mol.
Where can I buy 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.