![3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione structure](/static/products/852/852663-89-9.png)
3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione
TL;DR: 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione (CAS 852663-89-9) is a chemical compound with molecular formula C21H19N5O4 and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione
Also Known As: 3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine, 3-benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione, 7-ethyl-1-[(3-nitrophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione, 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H19N5O4 |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 2.3844 |
| Topological Polar Surface Area | 104.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1437 |
| Heavy Atoms | 30 |
| Complexity | 1351.5773 |
Chemical Identifiers
| CAS Number | 852663-89-9 |
|---|---|
| SMILES | CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione (CAS 852663-89-9), with molecular formula C21H19N5O4 and molecular weight 405.14 g/mol. IUPAC: 3-benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione
Property Insights of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione
The XLogP value of 2.3844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione. The TPSA of 104.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione. Following Lipinski's Rule of Five, 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]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 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione?
The CAS number of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione is 852663-89-9.
What is the molecular formula of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione?
The molecular formula of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione is C21H19N5O4.
What is the molecular weight of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione?
The molecular weight of 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione is 405.14 g/mol.
Where can I buy 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione?
You can request a quote for 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]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 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.