1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 900890-59-7) is a chemical compound with molecular formula C17H15Cl2N5O3 and molecular weight 407.0552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethyl-purine-2,6-dione, 1-[[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione, 1-{[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C17H15Cl2N5O3 |
| Molecular Weight | 407.0552 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.0552 Da |
| Heavy Atoms | 27 |
| Complexity | 662.0 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3CC(=NO3)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | VQVDVYWOEDKRGT-UHFFFAOYSA-N |
Chemical Property Profile of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione 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 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 900890-59-7.
What is the molecular formula of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C17H15Cl2N5O3.
What is the molecular weight of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 407.0552 g/mol.
Where can I buy 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 1-((3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.