![7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione structure](/static/products/851/851939-01-0.png)
7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione
TL;DR: 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione (CAS 851939-01-0) is a chemical compound with molecular formula C25H29N5O2 and molecular weight 431.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[benzyl(methyl)amino]methyl]-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione, 8-[[benzyl(methyl)amino]methyl]-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-{[benzyl(methyl)amino]methyl}-7-(2,5-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C25H29N5O2 |
|---|---|
| Molecular Weight | 431.23 g/mol |
| LogP | 2.73084 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.23212 |
| Heavy Atoms | 32 |
| Complexity | 1396.1077 |
Chemical Identifiers
| CAS Number | 851939-01-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN(C)CC4=CC=CC=C4 |
Product Overview
7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione (CAS 851939-01-0), with molecular formula C25H29N5O2 and molecular weight 431.23 g/mol. IUPAC: 8-[[benzyl(methyl)amino]methyl]-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione
Property Insights of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione
The XLogP value of 2.73084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione has 0 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 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione?
The CAS number of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione is 851939-01-0.
What is the molecular formula of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione?
The molecular formula of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione is C25H29N5O2.
What is the molecular weight of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione?
The molecular weight of 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione is 431.23 g/mol.
Where can I buy 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione?
You can request a quote for 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-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-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl}-1,3, 7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.