2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one
TL;DR: 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one (CAS 52190-29-1) is a chemical compound with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one
Also Known As: 2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one, Propiophenone,2-bromo-3',4',5'-trimethoxy, J1.194.352G, Propiophenone, 2-bromo-3',4',5'-trimethoxy-, 1-(3,4,5-Trimethoxyphenyl)-2-bromo-1-propanone
| Molecular Formula | C12H15BrO4 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.01538 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 52190-29-1 |
|---|---|
| SMILES | CC(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)Br |
| InChIKey | UBCRYYSRRCGWIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one (CAS 52190-29-1), with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol. IUPAC: 2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one.
Chemical Property Profile of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one
Property Insights of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one 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 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one?
The CAS number of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one is 52190-29-1.
What is the molecular formula of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one?
The molecular formula of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one is C12H15BrO4.
What is the molecular weight of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one?
The molecular weight of 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one is 302.02 g/mol.
Where can I buy 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one?
You can request a quote for 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.