Cyclohexanone, piperonyl-
TL;DR: Cyclohexanone, piperonyl- (CAS 12261-99-3) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-one
Also Known As: Piperonyl cyclohexanone, Cyclohexanone, piperonyl-, 2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-one, Cyclohexanone,(1,3-benzodioxol-5-ylmethyl)- (9CI), 2-[(2H-1,3-Benzodioxol-5-yl)methyl]cyclohexan-1-one
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 12261-99-3 |
|---|---|
| SMILES | C1CCC(=O)C(C1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | OSKIADHYNKFIHB-UHFFFAOYSA-N |
Product Overview
Cyclohexanone, piperonyl- (CAS 12261-99-3), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, piperonyl-
Property Insights of Cyclohexanone, piperonyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, piperonyl-. With a topological polar surface area (TPSA) of 35.5 Ų, Cyclohexanone, piperonyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, piperonyl- 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, piperonyl-?
The CAS number of Cyclohexanone, piperonyl- is 12261-99-3.
What is the molecular formula of Cyclohexanone, piperonyl-?
The molecular formula of Cyclohexanone, piperonyl- is C14H16O3.
What is the molecular weight of Cyclohexanone, piperonyl-?
The molecular weight of Cyclohexanone, piperonyl- is 232.11 g/mol.
Where can I buy Cyclohexanone, piperonyl-?
You can request a quote for Cyclohexanone, piperonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, piperonyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, piperonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.