![3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione structure](/static/products/6107/610756-99-5.webp)
3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
TL;DR: 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 610756-99-5) is a chemical compound with molecular formula C31H37N3O4 and molecular weight 515.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, F0909-0403, 2-[2-[4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C31H37N3O4 |
|---|---|
| Molecular Weight | 515.28 g/mol |
| LogP | 3.7908 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.2784 |
| Heavy Atoms | 38 |
| Complexity | 1273.4443 |
Chemical Identifiers
| CAS Number | 610756-99-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O |
Product Overview
3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 610756-99-5), with molecular formula C31H37N3O4 and molecular weight 515.28 g/mol. IUPAC: 2-[2-[4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Property Insights of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
The XLogP value of 3.7908 indicates that 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione. Following Lipinski's Rule of Five, 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione has 1 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 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The CAS number of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is 610756-99-5.
What is the molecular formula of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The molecular formula of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is C31H37N3O4.
What is the molecular weight of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The molecular weight of 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is 515.28 g/mol.
Where can I buy 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
You can request a quote for 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione 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-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-{4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.