Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride
TL;DR: Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride (CAS 84646-89-9) is a chemical compound with molecular formula C27H29Cl3N2O4 and molecular weight 550.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(9-chloro-3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
Also Known As: Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride, 1-[(5-Chloro-3a,12b-dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]-4-(2-methoxyphenyl)piperazine--hydrogen chloride (1/2), RefChem:371823
| Molecular Formula | C27H29Cl3N2O4 |
|---|---|
| Molecular Weight | 550.12 g/mol |
| LogP | 6.2754 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.11926 |
| Heavy Atoms | 36 |
| Complexity | 1189.1853 |
Chemical Identifiers
| CAS Number | 84646-89-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC3OC4C(O3)C5=C(C=CC(=C5)Cl)OC6=CC=CC=C46.Cl.Cl |
Product Overview
Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride (CAS 84646-89-9), with molecular formula C27H29Cl3N2O4 and molecular weight 550.12 g/mol. IUPAC: 1-[(9-chloro-3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride.
Chemical Property Profile of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride
Property Insights of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride
The XLogP value of 6.2754 indicates that Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride?
The CAS number of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride is 84646-89-9.
What is the molecular formula of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride?
The molecular formula of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride is C27H29Cl3N2O4.
What is the molecular weight of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride?
The molecular weight of Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride is 550.12 g/mol.
Where can I buy Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride?
You can request a quote for Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-(2-methoxyphenyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.