![8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione structure](/static/products/851/851941-75-8.png)
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
TL;DR: 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione (CAS 851941-75-8) is a chemical compound with molecular formula C21H29N5O2 and molecular weight 383.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5788526:001, 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione, 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((benzyl(methyl)amino)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H29N5O2 |
|---|---|
| Molecular Weight | 383.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.23212 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 851941-75-8 |
|---|---|
| SMILES | CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3 |
| InChIKey | IBEJBQLZSYSDCB-UHFFFAOYSA-N |
Product Overview
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione (CAS 851941-75-8), with molecular formula C21H29N5O2 and molecular weight 383.23 g/mol. IUPAC: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Property Insights of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-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 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
The CAS number of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione is 851941-75-8.
What is the molecular formula of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular formula of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione is C21H29N5O2.
What is the molecular weight of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular weight of 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione is 383.23 g/mol.
Where can I buy 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
You can request a quote for 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)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-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.