2-Benzylidenecyclohexanone
TL;DR: 2-Benzylidenecyclohexanone (CAS 5682-83-7) is a chemical compound with molecular formula C13H14O and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidenecyclohexan-1-one
Also Known As: 2-Benzylidenecyclohexanone, 2-Benzylidenecyclohexan-1-one, benzylidenecyclohexanone, (E)-2-Benzylidenecyclohexanone, 2-Benzyliden-Cyclohexanone
| Molecular Formula | C13H14O |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.10446 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 5682-83-7 |
|---|---|
| SMILES | C1CCC(=O)C(=CC2=CC=CC=C2)C1 |
| InChIKey | VCDPHYIZVFJQCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylidenecyclohexanone (CAS 5682-83-7), with molecular formula C13H14O and molecular weight 186.10 g/mol. IUPAC: 2-benzylidenecyclohexan-1-one.
Chemical Property Profile of 2-Benzylidenecyclohexanone
Property Insights of 2-Benzylidenecyclohexanone
The XLogP value of 3.0 indicates that 2-Benzylidenecyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Benzylidenecyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidenecyclohexanone 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-Benzylidenecyclohexanone?
The CAS number of 2-Benzylidenecyclohexanone is 5682-83-7.
What is the molecular formula of 2-Benzylidenecyclohexanone?
The molecular formula of 2-Benzylidenecyclohexanone is C13H14O.
What is the molecular weight of 2-Benzylidenecyclohexanone?
The molecular weight of 2-Benzylidenecyclohexanone is 186.10 g/mol.
Where can I buy 2-Benzylidenecyclohexanone?
You can request a quote for 2-Benzylidenecyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidenecyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidenecyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.