RefChem:570589
TL;DR: RefChem:570589 (CAS 20139-72-4) is a chemical compound with molecular formula C36H32Cl4N6O8 and molecular weight 816.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-4-[2-chloro-4-[[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
Also Known As: Acetoacetanilide, 2,2''-((2,2'-dichloro-4,4'-biphenylylene)bis(azo))bis(4'-chloro-2',5'-dimethoxy-, Butanamide, 2,2'-((2,2'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-, Butanamide, 2,2'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-, 2,2''-[(2,2'-dichloro-4,4'-biphenylylene)bis(azo)]bis[4'-chloro-2',5'-dimethoxyacetoacetanilide], 2,2'-[(2,2'-dichlorobiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis[n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide]
| Molecular Formula | C36H32Cl4N6O8 |
|---|---|
| Molecular Weight | 816.10 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 818.10065 |
| Heavy Atoms | 54 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 20139-72-4 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl |
| InChIKey | JGTNSDDJZDDMMJ-UHFFFAOYSA-N |
Product Overview
RefChem:570589 (CAS 20139-72-4), with molecular formula C36H32Cl4N6O8 and molecular weight 816.10 g/mol. IUPAC: 2-[[3-chloro-4-[2-chloro-4-[[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide.
Chemical Property Profile of RefChem:570589
Property Insights of RefChem:570589
The XLogP value of 9.2 indicates that RefChem:570589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:570589 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:570589 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:570589?
The CAS number of RefChem:570589 is 20139-72-4.
What is the molecular formula of RefChem:570589?
The molecular formula of RefChem:570589 is C36H32Cl4N6O8.
What is the molecular weight of RefChem:570589?
The molecular weight of RefChem:570589 is 816.10 g/mol.
Where can I buy RefChem:570589?
You can request a quote for RefChem:570589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:570589?
Yes, KEHONG BIO provides custom synthesis services for RefChem:570589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.