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3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde
TL;DR: 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde (CAS 345981-32-0) is a chemical compound with molecular formula C16H14INO5 and molecular weight 426.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]benzaldehyde
Also Known As: 3-ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde, 3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]benzaldehyde, BIM-0029631.P001, Benzaldehyde, 3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]-
| Molecular Formula | C16H14INO5 |
|---|---|
| Molecular Weight | 426.99 g/mol |
| LogP | 3.9896 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.99167 |
| Heavy Atoms | 23 |
| Complexity | 715.1557 |
Chemical Identifiers
| CAS Number | 345981-32-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)I)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde (CAS 345981-32-0), with molecular formula C16H14INO5 and molecular weight 426.99 g/mol. IUPAC: 3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]benzaldehyde.
Chemical Property Profile of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde
Property Insights of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde
The XLogP value of 3.9896 indicates that 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde. Following Lipinski's Rule of Five, 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde has 0 hydrogen bond donor(s) and 5 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 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde?
The CAS number of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde is 345981-32-0.
What is the molecular formula of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde?
The molecular formula of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde is C16H14INO5.
What is the molecular weight of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde?
The molecular weight of 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde is 426.99 g/mol.
Where can I buy 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde?
You can request a quote for 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.