8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione
TL;DR: 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione (CAS 61080-36-2) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione
Also Known As: 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione, AB00287616-09, 8-(4-methoxyphenyl)-1-methyl-9-propyl-3,9-dihydro-1H-purine-2,6-dione, 8-(4-methoxyphenyl)-1-methyl-9-propyl-1,3-dihydropurine-2,6-dione, 8-(4-methoxyphenyl)-1-methyl-9-propyl-1H-purine-2,6(3H,9H)-dione
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 1.5089 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 963.8845 |
Chemical Identifiers
| CAS Number | 61080-36-2 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)OC |
Product Overview
8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione (CAS 61080-36-2), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione.
Chemical Property Profile of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione
Property Insights of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione
The XLogP value of 1.5089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione has 1 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 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione?
The CAS number of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione is 61080-36-2.
What is the molecular formula of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione?
The molecular formula of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione is C16H18N4O3.
What is the molecular weight of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione?
The molecular weight of 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione is 314.14 g/mol.
Where can I buy 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione?
You can request a quote for 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-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 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.