RefChem:1056246
TL;DR: RefChem:1056246 (CAS 66596-45-0) is a chemical compound with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-one
Also Known As: 5-23-02-00546 (Beilstein Handbook Reference), 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4-methyl-5-(4-methyl-1-piperazinyl)-, 1-Penten-3-one, 4-methyl-1-(3,4-methylenedioxyphenyl)-5-(4-methyl-1-piperazinyl)-, 4-Methyl-1-(3,4-methylenedioxyphenyl)-5-(4-methyl-1-piperazinyl)-1-penten-3-one, (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-one
| Molecular Formula | C18H24N2O3 |
|---|---|
| Molecular Weight | 316.18 g/mol |
| LogP | 1.8811 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.17868 |
| Heavy Atoms | 23 |
| Complexity | 591.92957 |
Chemical Identifiers
| CAS Number | 66596-45-0 |
|---|---|
| SMILES | CC(CN1CCN(CC1)C)C(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
RefChem:1056246 (CAS 66596-45-0), with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol. IUPAC: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-one.
Chemical Property Profile of RefChem:1056246
Property Insights of RefChem:1056246
The XLogP value of 1.8811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056246. With a topological polar surface area (TPSA) of 42.01 Ų, RefChem:1056246 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056246 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:1056246?
The CAS number of RefChem:1056246 is 66596-45-0.
What is the molecular formula of RefChem:1056246?
The molecular formula of RefChem:1056246 is C18H24N2O3.
What is the molecular weight of RefChem:1056246?
The molecular weight of RefChem:1056246 is 316.18 g/mol.
Where can I buy RefChem:1056246?
You can request a quote for RefChem:1056246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056246?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.