(2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone
TL;DR: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone (CAS 691401-69-1) is a chemical compound with molecular formula C22H18O5 and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one
Also Known As: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone, 2,6-di(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one, 2,6-bis-(3,4-methylenedioxybenzylidene)cyclohexan-1-one, (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one, (2E,6E)-2,6-bis(benzo[d][1,3]dioxol-5-ylmethylene)cyclohexanone
| Molecular Formula | C22H18O5 |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.364 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.11542 |
| Heavy Atoms | 27 |
| Complexity | 908.6928 |
Chemical Identifiers
| CAS Number | 691401-69-1 |
|---|---|
| SMILES | C1C/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C(=C/C4=CC5=C(OCO5)C=C4)/C1 |
Product Overview
(2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone (CAS 691401-69-1), with molecular formula C22H18O5 and molecular weight 362.12 g/mol. IUPAC: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one.
Chemical Property Profile of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone
Property Insights of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone
The XLogP value of 4.364 indicates that (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone has 0 hydrogen bond donor(s) and 5 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 (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone?
The CAS number of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone is 691401-69-1.
What is the molecular formula of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone?
The molecular formula of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone is C22H18O5.
What is the molecular weight of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone?
The molecular weight of (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone is 362.12 g/mol.
Where can I buy (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone?
You can request a quote for (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.