1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione (CAS 61080-53-3) is a chemical compound with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-9-(2-phenylethyl)-3H-purine-2,6-dione
Also Known As: 1-methyl-9-phenethyl-3H-purine-2,6-dione, 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione, 1-METHYL-9-(2-PHENYLETHYL)-3H-PURINE-2,6-DIONE, 1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-9-(2-phenylethyl)-
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 0.666 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 858.2515 |
Chemical Identifiers
| CAS Number | 61080-53-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=O)N(C=N2)CCC3=CC=CC=C3 |
Product Overview
1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione (CAS 61080-53-3), with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol. IUPAC: 1-methyl-9-(2-phenylethyl)-3H-purine-2,6-dione.
Chemical Property Profile of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of 0.666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is 61080-53-3.
What is the molecular formula of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is C14H14N4O2.
What is the molecular weight of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione is 270.11 g/mol.
Where can I buy 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-methyl-9-(2-phenylethyl)-3,9-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 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-9-(2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.