9-(2,4-Dinitrophenyl)adenine
TL;DR: 9-(2,4-Dinitrophenyl)adenine (CAS 136112-73-7) is a chemical compound with molecular formula C11H7N7O4 and molecular weight 301.05594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(2,4-dinitrophenyl)purin-6-amine
Also Known As: 9-(2,4-Dinitrophenyl)adenine, 9-(2,4-dinitrophenyl)purin-6-amine, N,9-Bis(p-nitrophenyl)adenine, 9-(2,4-dinitrophenyl)-9H-purin-6-amine, 9H-Purin-6-amine,9-(2,4-dinitrophenyl)-
Technical Specifications
| Molecular Formula | C11H7N7O4 |
| Molecular Weight | 301.05594 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.05594 Da |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=NC3=C(N=CN=C32)N |
| InChIKey | QPNNLHUBAVQESD-UHFFFAOYSA-N |
Chemical Property Profile of 9-(2,4-Dinitrophenyl)adenine
Property Insights of 9-(2,4-Dinitrophenyl)adenine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2,4-Dinitrophenyl)adenine. The TPSA of 161.0 Ų indicates high polarity, suggesting 9-(2,4-Dinitrophenyl)adenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2,4-Dinitrophenyl)adenine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-(2,4-Dinitrophenyl)adenine?
The CAS number of 9-(2,4-Dinitrophenyl)adenine is 136112-73-7.
What is the molecular formula of 9-(2,4-Dinitrophenyl)adenine?
The molecular formula of 9-(2,4-Dinitrophenyl)adenine is C11H7N7O4.
What is the molecular weight of 9-(2,4-Dinitrophenyl)adenine?
The molecular weight of 9-(2,4-Dinitrophenyl)adenine is 301.05594 g/mol.
Where can I buy 9-(2,4-Dinitrophenyl)adenine?
You can request a quote for 9-(2,4-Dinitrophenyl)adenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(2,4-Dinitrophenyl)adenine?
Yes, CoreyChem provides custom synthesis services for 9-(2,4-Dinitrophenyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.