![1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3048/304879-98-9.webp)
1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 304879-98-9) is a chemical compound with molecular formula C16H18FN5O3 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, AN-512/13263028, 1-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione, 1-(4-fluorobenzyl)-8-((2-hydroxyethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-Fluorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H18FN5O3 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 0.0253 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13937 |
| Heavy Atoms | 25 |
| Complexity | 1033.0804 |
Chemical Identifiers
| CAS Number | 304879-98-9 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C |
Product Overview
1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 304879-98-9), with molecular formula C16H18FN5O3 and molecular weight 347.14 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.0253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-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 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 304879-98-9.
What is the molecular formula of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C16H18FN5O3.
What is the molecular weight of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 347.14 g/mol.
Where can I buy 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-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 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.