4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime
TL;DR: 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime (CAS 328023-59-2) is a chemical compound with molecular formula C14H8BrN3O6 and molecular weight 392.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-bromophenyl)methylideneamino] 3,5-dinitrobenzoate
Also Known As: n-Pentyl-2-hydroxy-4-methylphenylketoxim, 4-Bromobenzaldehyde O-{3,5-bisnitrobenzoyl}, 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime, [(E)-(4-bromophenyl)methylideneamino] 3,5-dinitrobenzoate, (1E)-2-(4-bromophenyl)-1-azavinyl 3,5-dinitrobenzoate
| Molecular Formula | C14H8BrN3O6 |
|---|---|
| Molecular Weight | 392.96 g/mol |
| LogP | 3.4564 |
| Topological Polar Surface Area | 124.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.95966 |
| Heavy Atoms | 24 |
| Complexity | 802.65344 |
Chemical Identifiers
| CAS Number | 328023-59-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br |
Product Overview
4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime (CAS 328023-59-2), with molecular formula C14H8BrN3O6 and molecular weight 392.96 g/mol. IUPAC: [(E)-(4-bromophenyl)methylideneamino] 3,5-dinitrobenzoate.
Chemical Property Profile of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime
Property Insights of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime
The XLogP value of 3.4564 indicates that 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime. Following Lipinski's Rule of Five, 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime has 0 hydrogen bond donor(s) and 7 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 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime?
The CAS number of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime is 328023-59-2.
What is the molecular formula of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime?
The molecular formula of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime is C14H8BrN3O6.
What is the molecular weight of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime?
The molecular weight of 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime is 392.96 g/mol.
Where can I buy 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime?
You can request a quote for 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-bromobenzaldehyde O-{3,5-bisnitrobenzoyl}oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.