2-(5-Bromo-2-methoxyphenyl)acetaldehyde
TL;DR: 2-(5-Bromo-2-methoxyphenyl)acetaldehyde (CAS 33787-05-2) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-methoxyphenyl)acetaldehyde
Also Known As: 2-(5-bromo-2-methoxyphenyl)acetaldehyde, 2- acetaldehyde, (5-bromo-2-methoxyphenyl)acetaldehyde, KST-1A3937, 2-(5-bromo-2-methoxy-phenyl)acetaldehyde
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 33787-05-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CC=O |
| InChIKey | LQQJQOGVWKEJSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-Bromo-2-methoxyphenyl)acetaldehyde (CAS 33787-05-2), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 2-(5-bromo-2-methoxyphenyl)acetaldehyde.
Chemical Property Profile of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde
Property Insights of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Bromo-2-methoxyphenyl)acetaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(5-Bromo-2-methoxyphenyl)acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Bromo-2-methoxyphenyl)acetaldehyde has 0 hydrogen bond donor(s) and 2 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 2-(5-Bromo-2-methoxyphenyl)acetaldehyde?
The CAS number of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde is 33787-05-2.
What is the molecular formula of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde?
The molecular formula of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde is C9H9BrO2.
What is the molecular weight of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde?
The molecular weight of 2-(5-Bromo-2-methoxyphenyl)acetaldehyde is 227.98 g/mol.
Where can I buy 2-(5-Bromo-2-methoxyphenyl)acetaldehyde?
You can request a quote for 2-(5-Bromo-2-methoxyphenyl)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Bromo-2-methoxyphenyl)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Bromo-2-methoxyphenyl)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.