EINECS 289-031-0
TL;DR: EINECS 289-031-0 (CAS 85959-38-2) is a chemical compound with molecular formula C35H31Cl2N7O5 and molecular weight 699.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-N-[4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]benzamide
Also Known As: EINECS 289-031-0, 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl, 4-((1-(((4-Chloro-o-tolyl)amino)carbonyl)-2-oxopropyl)azo)-N-(4-((1-(((4-chloro-o-tolyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)benzamide, 4-[1-[(4-chloro-2-methyl-phenyl)carbamoyl]-2-oxo-propyl]diazenyl-N-[4-[1-[(4-chloro-2-methyl-phenyl)carbamoyl]-2-oxo-propyl]diazenylphenyl]benzamide, 4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-N-[4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]benzamide
| Molecular Formula | C35H31Cl2N7O5 |
|---|---|
| Molecular Weight | 699.18 g/mol |
| LogP | 8.22254 |
| Topological Polar Surface Area | 170.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 699.1764 |
| Heavy Atoms | 49 |
| Complexity | 1962.3734 |
Chemical Identifiers
| CAS Number | 85959-38-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)C(C(=O)C)N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)Cl)C |
Product Overview
EINECS 289-031-0 (CAS 85959-38-2), with molecular formula C35H31Cl2N7O5 and molecular weight 699.18 g/mol. IUPAC: 4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-N-[4-[[1-(4-chloro-2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]benzamide.
Chemical Property Profile of EINECS 289-031-0
Property Insights of EINECS 289-031-0
The XLogP value of 8.22254 indicates that EINECS 289-031-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.88 Ų indicates high polarity, suggesting EINECS 289-031-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 289-031-0 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 289-031-0?
The CAS number of EINECS 289-031-0 is 85959-38-2.
What is the molecular formula of EINECS 289-031-0?
The molecular formula of EINECS 289-031-0 is C35H31Cl2N7O5.
What is the molecular weight of EINECS 289-031-0?
The molecular weight of EINECS 289-031-0 is 699.18 g/mol.
Where can I buy EINECS 289-031-0?
You can request a quote for EINECS 289-031-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 289-031-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 289-031-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.