(Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one
TL;DR: (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one (CAS 59082-34-7) 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.
(2Z)-2-[(4-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Also Known As: 2-(4-Bromobenzylidene)tetralin-1-one, J1.081.396D, (2Z)-2-[(4-bromophenyl)methylene]tetralin-1-one, (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, AS-871/13518199
| 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 | 653.2172 |
Chemical Identifiers
| CAS Number | 59082-34-7 |
|---|---|
| SMILES | C1C/C(=C/C2=CC=C(C=C2)Br)/C(=O)C3=CC=CC=C31 |
Product Overview
(Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one (CAS 59082-34-7), with molecular formula C17H13BrO and molecular weight 312.01 g/mol. IUPAC: (2Z)-2-[(4-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one
Property Insights of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 4.6616 indicates that (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one 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 (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one is 59082-34-7.
What is the molecular formula of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one is C17H13BrO.
What is the molecular weight of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one is 312.01 g/mol.
Where can I buy (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-bromobenzylidene)-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.