2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
TL;DR: 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone (CAS 227030-22-0) is a chemical compound with molecular formula C17H13BrO and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(3-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Also Known As: 2-(3-Bromophenylmethylene)-1-tetralone, 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone, AB01319067-02, (2E)-2-[(3-bromophenyl)methylene]tetralin-1-one, AI-211/12452017
| Molecular Formula | C17H13BrO |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 4.6616 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.01498 |
| Heavy Atoms | 19 |
| Complexity | 670.4672 |
Chemical Identifiers
| CAS Number | 227030-22-0 |
|---|---|
| SMILES | C1C/C(=C\C2=CC(=CC=C2)Br)/C(=O)C3=CC=CC=C31 |
Product Overview
2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone (CAS 227030-22-0), with molecular formula C17H13BrO and molecular weight 312.01 g/mol. IUPAC: (2E)-2-[(3-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
Property Insights of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
The XLogP value of 4.6616 indicates that 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone has 0 hydrogen bond donor(s) and 1 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-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone?
The CAS number of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone is 227030-22-0.
What is the molecular formula of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone?
The molecular formula of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone is C17H13BrO.
What is the molecular weight of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone?
The molecular weight of 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone is 312.01 g/mol.
Where can I buy 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone?
You can request a quote for 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.