![N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide structure](/static/products/860/860141-87-3.png)
N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide
TL;DR: N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide (CAS 860141-87-3) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide
Also Known As: N'-(2,2-dimethylpropylidene)-4-nitrobenzohydrazide
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 2.3565 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 472.33615 |
Chemical Identifiers
| CAS Number | 860141-87-3 |
|---|---|
| SMILES | CC(C)(C)/C=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide (CAS 860141-87-3), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide.
Chemical Property Profile of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide
Property Insights of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide
The XLogP value of 2.3565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide?
The CAS number of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide is 860141-87-3.
What is the molecular formula of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide?
The molecular formula of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide is C12H15N3O3.
What is the molecular weight of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide?
The molecular weight of N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide is 249.11 g/mol.
Where can I buy N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide?
You can request a quote for N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-2,2-dimethylpropylideneamino]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.