4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone
TL;DR: 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone (CAS 618092-30-1) is a chemical compound with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromo-2-ethoxyphenyl)-4-hydroxybutan-2-one
Also Known As: 4-(5-BROMO-2-ETHOXYPHENYL)-4-HYDROXY-2-BUTANONE, 4-(5-bromo-2-ethoxyphenyl)-4-hydroxybutan-2-one, 4-(5-bromo-2-ethoxy-phenyl)-4-hydroxy-butan-2-one, 651-393-6, RefChem:514684
| Molecular Formula | C12H15BrO3 |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 2.8603 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.02045 |
| Heavy Atoms | 16 |
| Complexity | 376.52667 |
Chemical Identifiers
| CAS Number | 618092-30-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)C(CC(=O)C)O |
Product Overview
4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone (CAS 618092-30-1), with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol. IUPAC: 4-(5-bromo-2-ethoxyphenyl)-4-hydroxybutan-2-one.
Chemical Property Profile of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone
Property Insights of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone
The XLogP value of 2.8603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone 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 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone?
The CAS number of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone is 618092-30-1.
What is the molecular formula of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone?
The molecular formula of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone is C12H15BrO3.
What is the molecular weight of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone?
The molecular weight of 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone is 286.02 g/mol.
Where can I buy 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone?
You can request a quote for 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Bromo-2-ethoxyphenyl)-4-hydroxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.