![3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione structure](/static/products/3320/332099-00-0.webp)
3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione
TL;DR: 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione (CAS 332099-00-0) is a chemical compound with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5730944:001, BAS 01108703, 3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione, 6-hydroxy-3-methyl-8-[(4-methylbenzyl)amino]-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one, 3-methyl-7-(2-methylallyl)-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H21N5O2 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.16953 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 332099-00-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C |
| InChIKey | OIFRKICPJMFNOE-UHFFFAOYSA-N |
Product Overview
3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione (CAS 332099-00-0), with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol. IUPAC: 3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione
Property Insights of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione has 2 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 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione?
The CAS number of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione is 332099-00-0.
What is the molecular formula of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione?
The molecular formula of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione is C18H21N5O2.
What is the molecular weight of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione?
The molecular weight of 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione is 339.17 g/mol.
Where can I buy 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione?
You can request a quote for 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)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 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.