![3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride structure](/static/products/4735/473567-89-4.webp)
3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride
TL;DR: 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride (CAS 473567-89-4) is a chemical compound with molecular formula C28H33Cl2N3O5 and molecular weight 561.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;dihydrochloride
Also Known As: 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride, F0840-0016, 2-[2-[4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione dihydrochloride
| Molecular Formula | C28H33Cl2N3O5 |
|---|---|
| Molecular Weight | 561.18 g/mol |
| LogP | 3.3455 |
| Topological Polar Surface Area | 82.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.17975 |
| Heavy Atoms | 38 |
| Complexity | 1215.4727 |
Chemical Identifiers
| CAS Number | 473567-89-4 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O.Cl.Cl |
Product Overview
3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride (CAS 473567-89-4), with molecular formula C28H33Cl2N3O5 and molecular weight 561.18 g/mol. IUPAC: 2-[2-[4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;dihydrochloride.
Chemical Property Profile of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride
Property Insights of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride
The XLogP value of 3.3455 indicates that 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride. Following Lipinski's Rule of Five, 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride?
The CAS number of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride is 473567-89-4.
What is the molecular formula of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride?
The molecular formula of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride is C28H33Cl2N3O5.
What is the molecular weight of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride?
The molecular weight of 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride is 561.18 g/mol.
Where can I buy 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride?
You can request a quote for 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-{4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.