![1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione structure](/static/products/851/851938-20-0.png)
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
TL;DR: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione (CAS 851938-20-0) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione, 1,3-dimethyl-7-(2-methylbenzyl)-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(2-methylbenzyl)-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 1,3-DIMETHYL-7-[(2-METHYLPHENYL)METHYL]-8-[(4-METHYLPIPERAZIN-1-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazinyl)methyl]-1,3,7- trihydropurine-2,6-dione
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 0.53782 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.2274 |
| Heavy Atoms | 29 |
| Complexity | 1164.3536 |
Chemical Identifiers
| CAS Number | 851938-20-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C |
Product Overview
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione (CAS 851938-20-0), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Property Insights of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
The XLogP value of 0.53782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione has 0 hydrogen bond donor(s) and 5 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 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione is 851938-20-0.
What is the molecular formula of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione is C21H28N6O2.
What is the molecular weight of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione is 396.23 g/mol.
Where can I buy 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]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 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.