1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
TL;DR: 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione (CAS 114145-36-7) is a chemical compound with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: 1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione, 1,7-dibenzyl-3-methyl-8-morpholin-4-yl-purine-2,6-dione, 1,7-dibenzyl-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione, 1,7-DIBENZYL-3-METHYL-8-(MORPHOLIN-4-YL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 1,7-dibenzyl-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C24H25N5O3 |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 1.8299 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.19574 |
| Heavy Atoms | 32 |
| Complexity | 1349.9064 |
Chemical Identifiers
| CAS Number | 114145-36-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCOCC4)CC5=CC=CC=C5 |
Product Overview
1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione (CAS 114145-36-7), with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol. IUPAC: 1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Property Insights of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
The XLogP value of 1.8299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-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 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione?
The CAS number of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione is 114145-36-7.
What is the molecular formula of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione?
The molecular formula of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione is C24H25N5O3.
What is the molecular weight of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione?
The molecular weight of 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione is 431.20 g/mol.
Where can I buy 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione?
You can request a quote for 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-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 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.