![3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione structure](/static/products/838/838898-97-8.png)
3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione
TL;DR: 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione (CAS 838898-97-8) is a chemical compound with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[benzyl(methyl)amino]methyl]-3-methyl-7H-purine-2,6-dione
Also Known As: AB00396664-04, AB00396664-11, 3-methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione, 8-[[benzyl(methyl)amino]methyl]-3-methyl-7H-purine-2,6-dione, F1699-0024
| Molecular Formula | C15H17N5O2 |
|---|---|
| Molecular Weight | 299.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1382 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 838898-97-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=N2)CN(C)CC3=CC=CC=C3 |
| InChIKey | JJEZJTWKHCGDLJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione (CAS 838898-97-8), with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol. IUPAC: 8-[[benzyl(methyl)amino]methyl]-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione
Property Insights of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-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-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione?
The CAS number of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione is 838898-97-8.
What is the molecular formula of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione is C15H17N5O2.
What is the molecular weight of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione is 299.14 g/mol.
Where can I buy 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 3-Methyl-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 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.