Einecs 244-475-4
TL;DR: Einecs 244-475-4 (CAS 21615-32-7) is a chemical compound with molecular formula C28H35BrN6O10 and molecular weight 694.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(2-butanoyloxyethyl)-2-ethoxyanilino]ethyl butanoate
Also Known As: 1,4-Phenylenediamine-15N2, 1H,2H,4H-Nonafluorocyclohexane, Cyclohexane, 1,1,2,2,3,4,4,5,6-nonafluoro-, ({5-(acetylamino)-4-[(e)-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}imino)diethane-2,1-diyl dibutanoate, Cyclohexane, 1,1,2,2,3,4,4,5,6-nonafluoro-, stereoisomer
| Molecular Formula | C28H35BrN6O10 |
|---|---|
| Molecular Weight | 694.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Exact Mass | 694.1598 |
| Heavy Atoms | 45 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 21615-32-7 |
|---|---|
| SMILES | CCCC(=O)OCCN(CCOC(=O)CCC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OCC |
| InChIKey | VJADXSDIUFPTKO-UHFFFAOYSA-N |
Product Overview
Einecs 244-475-4 (CAS 21615-32-7), with molecular formula C28H35BrN6O10 and molecular weight 694.16 g/mol. IUPAC: 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(2-butanoyloxyethyl)-2-ethoxyanilino]ethyl butanoate.
Chemical Property Profile of Einecs 244-475-4
Property Insights of Einecs 244-475-4
The XLogP value of 5.1 indicates that Einecs 244-475-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Einecs 244-475-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 244-475-4 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 244-475-4?
The CAS number of Einecs 244-475-4 is 21615-32-7.
What is the molecular formula of Einecs 244-475-4?
The molecular formula of Einecs 244-475-4 is C28H35BrN6O10.
What is the molecular weight of Einecs 244-475-4?
The molecular weight of Einecs 244-475-4 is 694.16 g/mol.
Where can I buy Einecs 244-475-4?
You can request a quote for Einecs 244-475-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 244-475-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 244-475-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.