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N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline
TL;DR: N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline (CAS 40647-49-2) is a chemical compound with molecular formula C11H11N5O2 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline
Also Known As: N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline, N-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]anili
| Molecular Formula | C11H11N5O2 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.09128 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 40647-49-2 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=NNC2=CC=CC=C2 |
| InChIKey | HBWNHQVFAHWDKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline (CAS 40647-49-2), with molecular formula C11H11N5O2 and molecular weight 245.09 g/mol. IUPAC: N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline.
Chemical Property Profile of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline
Property Insights of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline. Following Lipinski's Rule of Five, N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline 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
Frequently Asked Questions
What is the CAS number of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline?
The CAS number of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline is 40647-49-2.
What is the molecular formula of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline?
The molecular formula of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline is C11H11N5O2.
What is the molecular weight of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline?
The molecular weight of N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline is 245.09 g/mol.
Where can I buy N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline?
You can request a quote for N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.