7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 847408-12-2) is a chemical compound with molecular formula C18H20FN5O3 and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
Also Known As: 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(4-fluorobenzyl)-3-methyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione, 7-(4-fluorobenzyl)-6-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-2H-purin-2-one, 7-[(4-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione, 7-[(4-FLUOROPHENYL)METHYL]-3-METHYL-8-[(MORPHOLIN-4-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C18H20FN5O3 |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 0.4429 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.15503 |
| Heavy Atoms | 27 |
| Complexity | 1077.3007 |
Chemical Identifiers
| CAS Number | 847408-12-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=C(C=C4)F |
Product Overview
7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 847408-12-2), with molecular formula C18H20FN5O3 and molecular weight 373.16 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.4429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione has 1 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 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 847408-12-2.
What is the molecular formula of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione is C18H20FN5O3.
What is the molecular weight of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 373.16 g/mol.
Where can I buy 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-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 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-fluorobenzyl)-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.