3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde
TL;DR: 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde (CAS 385379-07-7) is a chemical compound with molecular formula C16H14BrClO3 and molecular weight 367.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
Also Known As: ZERO/004742, 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde, 3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxybenzaldehyde, 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde #, Benzaldehyde, 3-bromo-4-(3-chlorobenxyloxy)-5-ethoxy-
| Molecular Formula | C16H14BrClO3 |
|---|---|
| Molecular Weight | 367.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.98148 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 385379-07-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)Br)OCC2=CC(=CC=C2)Cl |
| InChIKey | QPVUTZBRAILRKU-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde (CAS 385379-07-7), with molecular formula C16H14BrClO3 and molecular weight 367.98 g/mol. IUPAC: 3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxybenzaldehyde.
Chemical Property Profile of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde
Property Insights of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde
The XLogP value of 4.5 indicates that 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde has 0 hydrogen bond donor(s) and 3 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-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde?
The CAS number of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde is 385379-07-7.
What is the molecular formula of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde?
The molecular formula of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde is C16H14BrClO3.
What is the molecular weight of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde?
The molecular weight of 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde is 367.98 g/mol.
Where can I buy 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde?
You can request a quote for 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.