![1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/838/838880-54-9.png)
1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 838880-54-9) is a chemical compound with molecular formula C26H30N6O2 and molecular weight 458.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione, 1,3-dimethyl-7-phenethyl-8-((4-phenylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-phenethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
| Molecular Formula | C26H30N6O2 |
|---|---|
| Molecular Weight | 458.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.243 |
| Heavy Atoms | 34 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 838880-54-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CCC5=CC=CC=C5 |
| InChIKey | ZSEQOHWFEBVCMD-UHFFFAOYSA-N |
Product Overview
1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 838880-54-9), with molecular formula C26H30N6O2 and molecular weight 458.24 g/mol. IUPAC: 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-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-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 838880-54-9.
What is the molecular formula of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C26H30N6O2.
What is the molecular weight of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 458.24 g/mol.
Where can I buy 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-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 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(2-phenylethyl)-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.