4'-Benzyloxy-2-bromopropiophenone
TL;DR: 4'-Benzyloxy-2-bromopropiophenone (CAS 35081-45-9) is a chemical compound with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one
Also Known As: 4'-Benzyloxy-2-bromopropiophenone, 2-bromo-4'-benzyloxypropiophenone, 4'-(Benzyloxy)-2-bromopropiophenone, zlchem 398, 1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one
| Molecular Formula | C16H15BrO2 |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.02554 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 35081-45-9 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)Br |
| InChIKey | LSQLSCUJBXFBRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Benzyloxy-2-bromopropiophenone (CAS 35081-45-9), with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol. IUPAC: 2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one.
Chemical Property Profile of 4'-Benzyloxy-2-bromopropiophenone
Property Insights of 4'-Benzyloxy-2-bromopropiophenone
The XLogP value of 4.3 indicates that 4'-Benzyloxy-2-bromopropiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4'-Benzyloxy-2-bromopropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Benzyloxy-2-bromopropiophenone 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 4'-Benzyloxy-2-bromopropiophenone?
The CAS number of 4'-Benzyloxy-2-bromopropiophenone is 35081-45-9.
What is the molecular formula of 4'-Benzyloxy-2-bromopropiophenone?
The molecular formula of 4'-Benzyloxy-2-bromopropiophenone is C16H15BrO2.
What is the molecular weight of 4'-Benzyloxy-2-bromopropiophenone?
The molecular weight of 4'-Benzyloxy-2-bromopropiophenone is 318.03 g/mol.
Where can I buy 4'-Benzyloxy-2-bromopropiophenone?
You can request a quote for 4'-Benzyloxy-2-bromopropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Benzyloxy-2-bromopropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Benzyloxy-2-bromopropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.