![(2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one structure](/static/products/5492/5492-49-9.webp)
(2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
TL;DR: (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one (CAS 5492-49-9) is a chemical compound with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
Also Known As: (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one, BIM-0022572.P001, 2-{[(2-bromo-4-nitrophenyl)amino]methylene}cyclohexanone
| Molecular Formula | C13H13BrN2O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 3.7962 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.01096 |
| Heavy Atoms | 19 |
| Complexity | 554.81934 |
Chemical Identifiers
| CAS Number | 5492-49-9 |
|---|---|
| SMILES | C1CCC(=O)/C(=C/NC2=C(C=C(C=C2)[N+](=O)[O-])Br)/C1 |
Product Overview
(2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one (CAS 5492-49-9), with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol. IUPAC: (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one.
Chemical Property Profile of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
Property Insights of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
The XLogP value of 3.7962 indicates that (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one. Following Lipinski's Rule of Five, (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one 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 (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one?
The CAS number of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one is 5492-49-9.
What is the molecular formula of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one?
The molecular formula of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one is C13H13BrN2O3.
What is the molecular weight of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one?
The molecular weight of (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one is 324.01 g/mol.
Where can I buy (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one?
You can request a quote for (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.