8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847846-19-9) is a chemical compound with molecular formula C20H24FN5O3 and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,6-dimethylmorpholin-4-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(2,6-dimethylmorpholin-4-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-(2,6-dimethylmorpholin-4-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(2,6-dimethylmorpholino)-7-(3-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2,6-DIMETHYLMORPHOLIN-4-YL)-7-[(3-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C20H24FN5O3 |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 1.2347 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.1863 |
| Heavy Atoms | 29 |
| Complexity | 1185.2704 |
Chemical Identifiers
| CAS Number | 847846-19-9 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=NC3=C(N2CC4=CC(=CC=C4)F)C(=O)N(C(=O)N3C)C |
Product Overview
8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847846-19-9), with molecular formula C20H24FN5O3 and molecular weight 401.19 g/mol. IUPAC: 8-(2,6-dimethylmorpholin-4-yl)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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
Frequently Asked Questions
What is the CAS number of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 847846-19-9.
What is the molecular formula of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C20H24FN5O3.
What is the molecular weight of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 401.19 g/mol.
Where can I buy 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-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 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,6-dimethylmorpholin-4-yl)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.