Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-
TL;DR: Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- (CAS 105702-16-7) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one
Also Known As: 2-Piperonyliden-cyclohexanon, Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-, 2-(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one, 2-[(2H-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one, RefChem:335554
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 105702-16-7 |
|---|---|
| SMILES | C1CCC(=O)C(=CC2=CC3=C(C=C2)OCO3)C1 |
| InChIKey | YVFYDEPCZZASHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- (CAS 105702-16-7), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-
Property Insights of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-. With a topological polar surface area (TPSA) of 35.5 Ų, Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- has 0 hydrogen bond donor(s) and 3 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 Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
The CAS number of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- is 105702-16-7.
What is the molecular formula of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular formula of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- is C14H14O3.
What is the molecular weight of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular weight of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- is 230.09 g/mol.
Where can I buy Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
You can request a quote for Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.