6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene structure

6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene

TL;DR: 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene (CAS 896068-65-8) is a chemical compound with molecular formula C23H24Cl2N6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

6-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

Also Known As: 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene, F3348-0126, 4-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine, 4-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine, 4-{4-[(2,4-dichlorophenyl)methyl]piperazinyl}-2,8,10-trimethyl-5-hydropyrimidi no[1',2'-1,5]pyrazolo[3,4-b]pyridine

CAS: 896068-65-8
Molecular Formula C23H24Cl2N6
Molecular Weight 454.14 g/mol
LogP 4.83176
Topological Polar Surface Area 49.56 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 454.14395
Heavy Atoms 31
Complexity 1290.6997

Chemical Identifiers

CAS Number 896068-65-8
SMILES CC1=CC(=NC2=NN3C(=CC(=NC3=C12)C)N4CCN(CC4)CC5=C(C=C(C=C5)Cl)Cl)C

Product Overview

6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene (CAS 896068-65-8), with molecular formula C23H24Cl2N6 and molecular weight 454.14 g/mol. IUPAC: 6-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene

XLogP
4.83176
TPSA (Topological Polar Surface Area)
49.56
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
31
Complexity
1290.6997
Exact Mass
454.14395
Monoisotopic Mass
454.14395
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene

The XLogP value of 4.83176 indicates that 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.56 Ų, 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene 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

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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Frequently Asked Questions

What is the CAS number of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?

The CAS number of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is 896068-65-8.

What is the molecular formula of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?

The molecular formula of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is C23H24Cl2N6.

What is the molecular weight of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?

The molecular weight of 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene is 454.14 g/mol.

Where can I buy 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?

You can request a quote for 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene?

Yes, KEHONG BIO provides custom synthesis services for 6-{4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl}-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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