Trinitro-1,4-dimethoxybenzene
TL;DR: Trinitro-1,4-dimethoxybenzene (CAS 15174-36-4) is a chemical compound with molecular formula C8H7N3O8 and molecular weight 273.02332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dimethoxy-2,3,5-trinitrobenzene
Also Known As: Trinitro-1,4-dimethoxybenzene, 1,4-Dimethoxy-2,3,5-trinitrobenzene, 1,4-dimethoxy-2,3,5-trinitro-benzene, 2,3,5-Trinitro-1,4-dimethoxybenzene, 1,4-Dimethoxy-2,3,5-trinitrobenzene #
Technical Specifications
| Molecular Formula | C8H7N3O8 |
| Molecular Weight | 273.02332 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.02332 Da |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
| SMILES | COC1=C(C(=C(C(=C1)[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RMLJGRGZSWFZFC-UHFFFAOYSA-N |
Chemical Property Profile of Trinitro-1,4-dimethoxybenzene
Property Insights of Trinitro-1,4-dimethoxybenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trinitro-1,4-dimethoxybenzene. The TPSA of 156.0 Ų indicates high polarity, suggesting Trinitro-1,4-dimethoxybenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinitro-1,4-dimethoxybenzene has 0 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 Trinitro-1,4-dimethoxybenzene?
The CAS number of Trinitro-1,4-dimethoxybenzene is 15174-36-4.
What is the molecular formula of Trinitro-1,4-dimethoxybenzene?
The molecular formula of Trinitro-1,4-dimethoxybenzene is C8H7N3O8.
What is the molecular weight of Trinitro-1,4-dimethoxybenzene?
The molecular weight of Trinitro-1,4-dimethoxybenzene is 273.02332 g/mol.
Where can I buy Trinitro-1,4-dimethoxybenzene?
You can request a quote for Trinitro-1,4-dimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trinitro-1,4-dimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for Trinitro-1,4-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.