8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-74-7) is a chemical compound with molecular formula C26H39N5O2 and molecular weight 453.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-dodecyl-3-methylpurine-2,6-dione
Also Known As: 8-(BENZYL(METHYL)AMINO)-7-DODECYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(benzyl-methyl-amino)-7-dodecyl-3-methyl-purine-2,6-dione, 8-[benzyl(methyl)amino]-7-dodecyl-3-methylpurine-2,6-dione, 650-848-6, RefChem:547431
| Molecular Formula | C26H39N5O2 |
|---|---|
| Molecular Weight | 453.31 g/mol |
| LogP | 4.9806 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 453.31036 |
| Heavy Atoms | 33 |
| Complexity | 1113.3981 |
Chemical Identifiers
| CAS Number | 477333-74-7 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-74-7), with molecular formula C26H39N5O2 and molecular weight 453.31 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-dodecyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.9806 indicates that 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 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)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 477333-74-7.
What is the molecular formula of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C26H39N5O2.
What is the molecular weight of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 453.31 g/mol.
Where can I buy 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-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-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Benzyl(methyl)amino)-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.