2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol structure

2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

TL;DR: 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol (CAS 310459-45-1) is a chemical compound with molecular formula C20H12FIN2O2 and molecular weight 457.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-fluoro-6-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol

Also Known As: A0877/0041132, 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol, 2-Fluoro-6-[[[2-(3-iodophenyl)-5-benzoxazolyl]imino]methyl]phenol, 2-fluoro-6-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenol, (6E)-2-fluoro-6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

CAS: 310459-45-1
Molecular Formula C20H12FIN2O2
Molecular Weight 457.99 g/mol
LogP 5.6947
Topological Polar Surface Area 58.62 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 457.99274
Heavy Atoms 26
Complexity 1137.8265

Chemical Identifiers

CAS Number 310459-45-1
SMILES C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)F)O

Product Overview

2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol (CAS 310459-45-1), with molecular formula C20H12FIN2O2 and molecular weight 457.99 g/mol. IUPAC: 2-fluoro-6-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol.

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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 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

XLogP
5.6947
TPSA (Topological Polar Surface Area)
58.62
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
26
Complexity
1137.8265
Exact Mass
457.99274
Monoisotopic Mass
457.99274
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 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

The XLogP value of 5.6947 indicates that 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.62 Ų, 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol has 1 hydrogen bond donor(s) and 4 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 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol?

The CAS number of 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol is 310459-45-1.

What is the molecular formula of 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol?

The molecular formula of 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol is C20H12FIN2O2.

What is the molecular weight of 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol?

The molecular weight of 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol is 457.99 g/mol.

Where can I buy 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol?

You can request a quote for 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol?

Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-6-[(E)-{[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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