3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
TL;DR: 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde (CAS 3111-37-3) is a chemical compound with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-hydroxybenzaldehyde
Also Known As: 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde, 3-Bromo-5-ethoxy-4-hydroxy-benzaldehyde, ZERO/001515, 3-bromo-4-hydroxy-5-ethoxybenzaldehyde, 3-bromo-5-ethoxy4-hydroxy-benzaldehyde
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 3111-37-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)Br)O |
| InChIKey | GWEFTCNMUHHQLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-5-ethoxy-4-hydroxybenzaldehyde (CAS 3111-37-3), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 3-bromo-5-ethoxy-4-hydroxybenzaldehyde.
Chemical Property Profile of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
Property Insights of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde has 1 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-5-ethoxy-4-hydroxybenzaldehyde?
The CAS number of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde is 3111-37-3.
What is the molecular formula of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde?
The molecular formula of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde is C9H9BrO3.
What is the molecular weight of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde?
The molecular weight of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde is 243.97 g/mol.
Where can I buy 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde?
You can request a quote for 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.