2,6-Dipiperonylidencyclohexanon
TL;DR: 2,6-Dipiperonylidencyclohexanon (CAS 5216-82-0) 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.
2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one
Also Known As: Maybridge1_003212, 2,6-Dipiperonylidencyclohexanon, 2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexanone, 2,6-bis(3,4-methylenedioxybenzylidene)-1-cyclohexanone, Cyclohexanone, 2,6-bis(1,3-benzodioxol-5-ylmethylene)-
| Molecular Formula | C22H18O5 |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.11542 |
| Heavy Atoms | 27 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 5216-82-0 |
|---|---|
| SMILES | C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)C1 |
| InChIKey | FSKXKUGPSKOGHB-UHFFFAOYSA-N |
Product Overview
2,6-Dipiperonylidencyclohexanon (CAS 5216-82-0), with molecular formula C22H18O5 and molecular weight 362.12 g/mol. IUPAC: 2,6-bis(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one.
Chemical Property Profile of 2,6-Dipiperonylidencyclohexanon
Property Insights of 2,6-Dipiperonylidencyclohexanon
The XLogP value of 4.7 indicates that 2,6-Dipiperonylidencyclohexanon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2,6-Dipiperonylidencyclohexanon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dipiperonylidencyclohexanon 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 2,6-Dipiperonylidencyclohexanon?
The CAS number of 2,6-Dipiperonylidencyclohexanon is 5216-82-0.
What is the molecular formula of 2,6-Dipiperonylidencyclohexanon?
The molecular formula of 2,6-Dipiperonylidencyclohexanon is C22H18O5.
What is the molecular weight of 2,6-Dipiperonylidencyclohexanon?
The molecular weight of 2,6-Dipiperonylidencyclohexanon is 362.12 g/mol.
Where can I buy 2,6-Dipiperonylidencyclohexanon?
You can request a quote for 2,6-Dipiperonylidencyclohexanon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dipiperonylidencyclohexanon?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dipiperonylidencyclohexanon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.