4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-
TL;DR: 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- (CAS 4317-88-8) is a chemical compound with molecular formula C22H19NO5 and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one
Also Known As: 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-, 3,5-Bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-4-piperidinone, (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one, RefChem:1071475
| Molecular Formula | C22H19NO5 |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.1255 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1263 |
| Heavy Atoms | 28 |
| Complexity | 944.08234 |
Chemical Identifiers
| CAS Number | 4317-88-8 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/C1 |
Product Overview
4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- (CAS 4317-88-8), with molecular formula C22H19NO5 and molecular weight 377.13 g/mol. IUPAC: (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one.
Chemical Property Profile of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-
Property Insights of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-
The XLogP value of 3.1255 indicates that 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- has 0 hydrogen bond donor(s) and 6 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 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-?
The CAS number of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- is 4317-88-8.
What is the molecular formula of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-?
The molecular formula of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- is C22H19NO5.
What is the molecular weight of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-?
The molecular weight of 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- is 377.13 g/mol.
Where can I buy 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-?
You can request a quote for 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.