N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide structure

N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide

TL;DR: N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide (CAS 5442-75-1) is a chemical compound with molecular formula C27H25BrN4O4 and molecular weight 548.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide

Also Known As: N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide

CAS: 5442-75-1
Molecular Formula C27H25BrN4O4
Molecular Weight 548.11 g/mol
LogP 5.0858
Topological Polar Surface Area 112.81 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 10
Exact Mass 548.1059
Heavy Atoms 36
Complexity 1300.1161

Chemical Identifiers

CAS Number 5442-75-1
SMILES CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)C#N)OC

Product Overview

N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide (CAS 5442-75-1), with molecular formula C27H25BrN4O4 and molecular weight 548.11 g/mol. IUPAC: N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide.

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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-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide

XLogP
5.0858
TPSA (Topological Polar Surface Area)
112.81
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
10
Heavy Atoms
36
Complexity
1300.1161
Exact Mass
548.1059
Monoisotopic Mass
548.1059
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-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide

The XLogP value of 5.0858 indicates that N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide. Following Lipinski's Rule of Five, N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide has 2 hydrogen bond donor(s) and 6 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-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide?

The CAS number of N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide is 5442-75-1.

What is the molecular formula of N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide?

The molecular formula of N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide is C27H25BrN4O4.

What is the molecular weight of N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide?

The molecular weight of N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide is 548.11 g/mol.

Where can I buy N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide?

You can request a quote for N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide 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-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide?

Yes, KEHONG BIO provides custom synthesis services for N'-[[3-bromo-4-[(4-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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