N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide structure

N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide

TL;DR: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide (CAS 5318-98-9) is a chemical compound with molecular formula C22H17BrN4O7 and molecular weight 528.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide

Also Known As: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide, N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide, N'-({3-Bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-nitrobenzohydrazide

CAS: 5318-98-9
Molecular Formula C22H17BrN4O7
Molecular Weight 528.03 g/mol
LogP 4.617
Topological Polar Surface Area 146.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 528.0281
Heavy Atoms 34
Complexity 1245.3579

Chemical Identifiers

CAS Number 5318-98-9
SMILES COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Product Overview

N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide (CAS 5318-98-9), with molecular formula C22H17BrN4O7 and molecular weight 528.03 g/mol. IUPAC: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide

XLogP
4.617
TPSA (Topological Polar Surface Area)
146.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
Rotatable Bonds
9
Heavy Atoms
34
Complexity
1245.3579
Exact Mass
528.0281
Monoisotopic Mass
528.0281
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide

The XLogP value of 4.617 indicates that N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.2 Ų indicates high polarity, suggesting N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide?

The CAS number of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide is 5318-98-9.

What is the molecular formula of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide?

The molecular formula of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide is C22H17BrN4O7.

What is the molecular weight of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide?

The molecular weight of N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide is 528.03 g/mol.

Where can I buy N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide?

You can request a quote for N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide?

Yes, KEHONG BIO provides custom synthesis services for N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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