3-Benzylidene-2-oxo-cyclohexanecarbaldehyde
TL;DR: 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde (CAS 69009-80-9) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-2-oxocyclohexane-1-carbaldehyde
Also Known As: 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde, 3-benzylidene-2-oxocyclohexane-1-carbaldehyde, 3-benzylidene-2-oxo-cyclohexane-1-carbaldehyde
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 2.6381 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 417.6213 |
Chemical Identifiers
| CAS Number | 69009-80-9 |
|---|---|
| SMILES | C1CC(C(=O)C(=CC2=CC=CC=C2)C1)C=O |
Product Overview
3-Benzylidene-2-oxo-cyclohexanecarbaldehyde (CAS 69009-80-9), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: 3-benzylidene-2-oxocyclohexane-1-carbaldehyde.
Chemical Property Profile of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde
Property Insights of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde
The XLogP value of 2.6381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde. With a topological polar surface area (TPSA) of 34.14 Ų, 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde 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 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde?
The CAS number of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde is 69009-80-9.
What is the molecular formula of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde?
The molecular formula of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde is C14H14O2.
What is the molecular weight of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde?
The molecular weight of 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde is 214.10 g/mol.
Where can I buy 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde?
You can request a quote for 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylidene-2-oxo-cyclohexanecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.