3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde
TL;DR: 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde (CAS 63068-73-5) is a chemical compound with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-methoxy-4-phenacyloxybenzaldehyde
Also Known As: 3-bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde, 3-bromo-5-methoxy-4-phenacyloxybenzaldehyde, 5-Propyl-thiophene-2-carboxylic acid, 3-BROMO-5-METHOXY-4-(2-OXO-2-PHENYLETHOXY)-BENZALDEHYDE, 3-bromo-5-methoxy-4-phenacyloxy-benzaldehyde
| Molecular Formula | C16H13BrO4 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 3.5319 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.99973 |
| Heavy Atoms | 21 |
| Complexity | 652.8266 |
Chemical Identifiers
| CAS Number | 63068-73-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=O)Br)OCC(=O)C2=CC=CC=C2 |
Product Overview
3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde (CAS 63068-73-5), with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol. IUPAC: 3-bromo-5-methoxy-4-phenacyloxybenzaldehyde.
Chemical Property Profile of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde
Property Insights of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde
The XLogP value of 3.5319 indicates that 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde has 0 hydrogen bond donor(s) and 4 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-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde?
The CAS number of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde is 63068-73-5.
What is the molecular formula of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde?
The molecular formula of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde is C16H13BrO4.
What is the molecular weight of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde?
The molecular weight of 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde is 348.00 g/mol.
Where can I buy 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde?
You can request a quote for 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde 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-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-methoxy-4-(2-oxo-2-phenylethoxy)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.