3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-
TL;DR: 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- (CAS 40469-00-9) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one
Also Known As: 4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one, 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 2.7569 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 355.9424 |
Chemical Identifiers
| CAS Number | 40469-00-9 |
|---|---|
| SMILES | CC(=O)C=CC1=C(C=CC(=C1)Br)O |
Product Overview
3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- (CAS 40469-00-9), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: 4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-
Property Insights of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-
The XLogP value of 2.7569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- has 1 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 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-?
The CAS number of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- is 40469-00-9.
What is the molecular formula of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-?
The molecular formula of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- is C10H9BrO2.
What is the molecular weight of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-?
The molecular weight of 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- is 239.98 g/mol.
Where can I buy 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-?
You can request a quote for 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(5-bromo-2-hydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.