2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane
TL;DR: 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane (CAS 84646-82-2) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)piperazine
Also Known As: 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane, 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-methylpiperazine, 2,1,3-Benzothiadiazole-4,7-diol,5,6-dichloro, Piperazine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-methyl-, 1-[(3a,12b-Dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]-4-methylpiperazine
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 3.195 |
| Topological Polar Surface Area | 34.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 734.83057 |
Chemical Identifiers
| CAS Number | 84646-82-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC2OC3C(O2)C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane (CAS 84646-82-2), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: 1-methyl-4-(3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)piperazine.
Chemical Property Profile of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane
Property Insights of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane
The XLogP value of 3.195 indicates that 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.17 Ų, 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane 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-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
The CAS number of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is 84646-82-2.
What is the molecular formula of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
The molecular formula of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is C21H24N2O3.
What is the molecular weight of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
The molecular weight of 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is 352.18 g/mol.
Where can I buy 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
You can request a quote for 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.