Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-
TL;DR: Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- (CAS 69920-35-0) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-one
Also Known As: 2-Piperonylidene-4-methylcyclohexanone, 2-(3,4-Methylenedioxybenzylidene)-4-methylcyclohexanone, Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-, 2-(1,3-Benzodioxol-5-ylmethylene)-4-methylcyclohexanone, (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-one
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 3.1878 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 516.47003 |
Chemical Identifiers
| CAS Number | 69920-35-0 |
|---|---|
| SMILES | CC1CCC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C1 |
Product Overview
Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- (CAS 69920-35-0), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-
Property Insights of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-
The XLogP value of 3.1878 indicates that Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- 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)-4-methyl-?
The CAS number of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- is 69920-35-0.
What is the molecular formula of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-?
The molecular formula of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- is C15H16O3.
What is the molecular weight of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-?
The molecular weight of Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- is 244.11 g/mol.
Where can I buy Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-?
You can request a quote for Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- 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)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.