1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 305863-30-3) is a chemical compound with molecular formula C22H22FN5O2 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
Also Known As: 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione, 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione, 1-(2-fluorobenzyl)-3,7-dimethyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H22FN5O2 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 2.54162 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.17575 |
| Heavy Atoms | 30 |
| Complexity | 1349.1986 |
Chemical Identifiers
| CAS Number | 305863-30-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F |
Product Overview
1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 305863-30-3), with molecular formula C22H22FN5O2 and molecular weight 407.18 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione.
Chemical Property Profile of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.54162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione is 305863-30-3.
What is the molecular formula of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione is C22H22FN5O2.
What is the molecular weight of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione is 407.18 g/mol.
Where can I buy 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-fluorobenzyl)-3,7-dimethyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.