2-(4-Bromobenzylidene)cyclohexanone
TL;DR: 2-(4-Bromobenzylidene)cyclohexanone (CAS 111729-78-3) is a chemical compound with molecular formula C13H13BrO and molecular weight 264.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-one
Also Known As: 2-(4-Bromobenzylidene)cyclohexanone, (E)-2-(4-Bromobenzylidene)cyclohexanone, (E)-2-(4-bromobenzylidene)cyclohexan-1-one, (2E)-2-(4-Bromobenzylidene)cyclohexanone #, (2E)-2-[(4-bromophenyl)methylene]cyclohexanone
| Molecular Formula | C13H13BrO |
|---|---|
| Molecular Weight | 264.01 g/mol |
| LogP | 3.9756 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.01498 |
| Heavy Atoms | 15 |
| Complexity | 389.50192 |
Chemical Identifiers
| CAS Number | 111729-78-3 |
|---|---|
| SMILES | C1CCC(=O)/C(=C/C2=CC=C(C=C2)Br)/C1 |
Product Overview
2-(4-Bromobenzylidene)cyclohexanone (CAS 111729-78-3), with molecular formula C13H13BrO and molecular weight 264.01 g/mol. IUPAC: (2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2-(4-Bromobenzylidene)cyclohexanone
Property Insights of 2-(4-Bromobenzylidene)cyclohexanone
The XLogP value of 3.9756 indicates that 2-(4-Bromobenzylidene)cyclohexanone 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-(4-Bromobenzylidene)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobenzylidene)cyclohexanone 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-(4-Bromobenzylidene)cyclohexanone?
The CAS number of 2-(4-Bromobenzylidene)cyclohexanone is 111729-78-3.
What is the molecular formula of 2-(4-Bromobenzylidene)cyclohexanone?
The molecular formula of 2-(4-Bromobenzylidene)cyclohexanone is C13H13BrO.
What is the molecular weight of 2-(4-Bromobenzylidene)cyclohexanone?
The molecular weight of 2-(4-Bromobenzylidene)cyclohexanone is 264.01 g/mol.
Where can I buy 2-(4-Bromobenzylidene)cyclohexanone?
You can request a quote for 2-(4-Bromobenzylidene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromobenzylidene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobenzylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.