1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 840495-87-6) is a chemical compound with molecular formula C18H20FN5O2 and molecular weight 357.1601 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione, 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C18H20FN5O2 |
| Molecular Weight | 357.1601 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1601 Da |
| Heavy Atoms | 26 |
| Complexity | 562.0 |
| SMILES | CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C |
| InChIKey | YDEVHVNTRINAPT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-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-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 840495-87-6.
What is the molecular formula of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C18H20FN5O2.
What is the molecular weight of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 357.1601 g/mol.
Where can I buy 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-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-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 1-(4-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.