4,5-Diethoxy-2-nitroaniline
TL;DR: 4,5-Diethoxy-2-nitroaniline (CAS 113475-65-3) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-diethoxy-2-nitroaniline
Also Known As: 4,5-diethoxy-2-nitroaniline, Benzenamine, 4,5-diethoxy-2-nitro-, 4,5-diethoxy-2-nitro-aniline, Benzenamine,4,5-diethoxy-2-nitro-, Benzenamine,4,5-diethoxy-2-nitro
Technical Specifications
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.09535 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09535 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | CCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])OCC |
| InChIKey | FIHGCFPYSBKOTC-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Diethoxy-2-nitroaniline
Property Insights of 4,5-Diethoxy-2-nitroaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diethoxy-2-nitroaniline. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diethoxy-2-nitroaniline. Following Lipinski's Rule of Five, 4,5-Diethoxy-2-nitroaniline has 1 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 4,5-Diethoxy-2-nitroaniline?
The CAS number of 4,5-Diethoxy-2-nitroaniline is 113475-65-3.
What is the molecular formula of 4,5-Diethoxy-2-nitroaniline?
The molecular formula of 4,5-Diethoxy-2-nitroaniline is C10H14N2O4.
What is the molecular weight of 4,5-Diethoxy-2-nitroaniline?
The molecular weight of 4,5-Diethoxy-2-nitroaniline is 226.09535 g/mol.
Where can I buy 4,5-Diethoxy-2-nitroaniline?
You can request a quote for 4,5-Diethoxy-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Diethoxy-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 4,5-Diethoxy-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.