RefChem:1082604
TL;DR: RefChem:1082604 (CAS 69920-40-7) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
Also Known As: 6-(1,3-Benzodioxol-5-ylmethylene)-2-methyl-2-((4-methyl-1-piperazinyl)methyl)cyclohexanone, Cyclohexanone, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-((4-methyl-1-piperazinyl)methyl)-, (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one, RefChem:1082604
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.8054 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 721.96643 |
Chemical Identifiers
| CAS Number | 69920-40-7 |
|---|---|
| SMILES | CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)CN4CCN(CC4)C |
Product Overview
RefChem:1082604 (CAS 69920-40-7), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one.
Chemical Property Profile of RefChem:1082604
Property Insights of RefChem:1082604
The XLogP value of 2.8054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082604. With a topological polar surface area (TPSA) of 42.01 Ų, RefChem:1082604 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082604 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 RefChem:1082604?
The CAS number of RefChem:1082604 is 69920-40-7.
What is the molecular formula of RefChem:1082604?
The molecular formula of RefChem:1082604 is C21H28N2O3.
What is the molecular weight of RefChem:1082604?
The molecular weight of RefChem:1082604 is 356.21 g/mol.
Where can I buy RefChem:1082604?
You can request a quote for RefChem:1082604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082604?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.