2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine
TL;DR: 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine (CAS 163685-00-5) is a chemical compound with molecular formula C11H9N5O7 and molecular weight 323.0502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dinitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
Also Known As: 2-{3,5-bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine, 2-(3,5-dinitrophenoxy)-4,6-dimethoxy-1,3,5-triazine, AL-398/12677063
Technical Specifications
| Molecular Formula | C11H9N5O7 |
| Molecular Weight | 323.0502 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0502 Da |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
| SMILES | COC1=NC(=NC(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | MWEXNRYJCOPUQO-UHFFFAOYSA-N |
Chemical Property Profile of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine
Property Insights of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine?
The CAS number of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine is 163685-00-5.
What is the molecular formula of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine?
The molecular formula of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine is C11H9N5O7.
What is the molecular weight of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine?
The molecular weight of 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine is 323.0502 g/mol.
Where can I buy 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine?
You can request a quote for 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine?
Yes, CoreyChem provides custom synthesis services for 2-{3,5-Bisnitrophenoxy}-4,6-dimethoxy-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.