7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 155581-78-5) is a chemical compound with molecular formula C14H13N5O4 and molecular weight 315.09674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzyl-1,3-dimethyl-8-nitropurine-2,6-dione
Also Known As: Salor-int l249335-1ea, BAS 01541691, 7-benzyl-1,3-dimethyl-8-nitropurine-2,6-dione, 7-BENZYL-1,3-DIMETHYL-8-NITRO-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-benzyl-8-nitro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C14H13N5O4 |
| Molecular Weight | 315.09674 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.09674 Da |
| Heavy Atoms | 23 |
| Complexity | 516.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=CC=CC=C3 |
| InChIKey | QXODFOCFKAUFBE-UHFFFAOYSA-N |
Chemical Property Profile of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-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
What is the CAS number of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 155581-78-5.
What is the molecular formula of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is C14H13N5O4.
What is the molecular weight of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 315.09674 g/mol.
Where can I buy 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-Benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.