8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 672934-53-1) is a chemical compound with molecular formula C19H22FN5O2 and molecular weight 371.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 07401917, UPCMLD0ENAT5782252:001, 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione, AB01287303-01, 8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
| Molecular Formula | C19H22FN5O2 |
|---|---|
| Molecular Weight | 371.18 g/mol |
| LogP | 1.9911 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.17575 |
| Heavy Atoms | 27 |
| Complexity | 1089.6536 |
Chemical Identifiers
| CAS Number | 672934-53-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=CC=C4F |
Product Overview
8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 672934-53-1), with molecular formula C19H22FN5O2 and molecular weight 371.18 g/mol. IUPAC: 8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.9911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-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 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 672934-53-1.
What is the molecular formula of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione is C19H22FN5O2.
What is the molecular weight of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 371.18 g/mol.
Where can I buy 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-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-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Azepan-1-yl-7-(2-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.