1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione (CAS 29064-04-8) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-dimethyl-8-phenyl-3H-purine-2,6-dione
Also Known As: TimTec1_007767, IDI1_033421, BAS 00444332, 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione, 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 29064-04-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3 |
| InChIKey | XUNASRGTNSBXCW-UHFFFAOYSA-N |
Product Overview
1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione (CAS 29064-04-8), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 1,9-dimethyl-8-phenyl-3H-purine-2,6-dione.
Chemical Property Profile of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,9-dimethyl-8-phenyl-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 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione is 29064-04-8.
What is the molecular formula of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione is C13H12N4O2.
What is the molecular weight of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione is 256.10 g/mol.
Where can I buy 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,9-dimethyl-8-phenyl-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 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,9-dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.