![21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione structure](/static/products/5439/5439-03-2.webp)
21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione
TL;DR: 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione (CAS 5439-03-2) is a chemical compound with molecular formula C25H15Cl2N3O2 and molecular weight 459.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-(3,5-dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.315,19.02,7.09,14.015,19]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione
Also Known As: 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione
| Molecular Formula | C25H15Cl2N3O2 |
|---|---|
| Molecular Weight | 459.05 g/mol |
| LogP | 5.3486 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 459.05414 |
| Heavy Atoms | 32 |
| Complexity | 1352.0509 |
Chemical Identifiers
| CAS Number | 5439-03-2 |
|---|---|
| SMILES | C1C23C4C5=CC=CC=C5C(C2(C(=O)N(C3=O)C6=CC(=CC(=C6)Cl)Cl)N=N1)C7=CC=CC=C47 |
Product Overview
21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione (CAS 5439-03-2), with molecular formula C25H15Cl2N3O2 and molecular weight 459.05 g/mol. IUPAC: 21-(3,5-dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.315,19.02,7.09,14.015,19]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione.
Chemical Property Profile of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione
Property Insights of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione
The XLogP value of 5.3486 indicates that 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione. Following Lipinski's Rule of Five, 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione?
The CAS number of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione is 5439-03-2.
What is the molecular formula of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione?
The molecular formula of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione is C25H15Cl2N3O2.
What is the molecular weight of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione?
The molecular weight of 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione is 459.05 g/mol.
Where can I buy 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione?
You can request a quote for 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione?
Yes, KEHONG BIO provides custom synthesis services for 21-(3,5-Dichlorophenyl)-16,17,21-triazahexacyclo[6.6.5.3~15,19~.0~2,7~.0~9,14~.0~15,19~]docosa-2,4,6,9,11,13,16-heptaene-20,22-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.