![N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline structure](/static/products/1061/1061349-31-2.webp)
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline
TL;DR: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline (CAS 1061349-31-2) is a chemical compound with molecular formula C14H11N3O4 and molecular weight 285.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline
Also Known As: AB00078775-01, N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline, 1,3-benzodioxole-5-carbaldehyde (4-nitrophenyl)hydrazone, N-(1,3-benzodioxol-5-ylmethylideneamino)-4-nitroaniline, (E)-1,3-Benzodioxole-5-carbaldehyde 4-nitrophenylhydrazone
Technical Specifications
| Molecular Formula | C14H11N3O4 |
| Molecular Weight | 285.07495 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.07495 Da |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZURBLFPFTHXHQS-OVCLIPMQSA-N |
Chemical Property Profile of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline
Property Insights of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline
The XLogP value of 3.0 indicates that N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline. Following Lipinski's Rule of Five, N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline?
The CAS number of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline is 1061349-31-2.
What is the molecular formula of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline?
The molecular formula of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline is C14H11N3O4.
What is the molecular weight of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline?
The molecular weight of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline is 285.07495 g/mol.
Where can I buy N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline?
You can request a quote for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.