8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 577789-81-2) is a chemical compound with molecular formula C16H19FN6O2 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-((2-aminoethyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-aminoethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-(2-aminoethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-[(2-aminoethyl)amino]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H19FN6O2 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | -0.0083 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.15536 |
| Heavy Atoms | 25 |
| Complexity | 1049.1852 |
Chemical Identifiers
| CAS Number | 577789-81-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=CC=C3F |
Product Overview
8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 577789-81-2), with molecular formula C16H19FN6O2 and molecular weight 346.16 g/mol. IUPAC: 8-(2-aminoethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of -0.0083 indicates that 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione has 2 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 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 577789-81-2.
What is the molecular formula of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C16H19FN6O2.
What is the molecular weight of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 346.16 g/mol.
Where can I buy 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Amino-ethylamino)-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.