EINECS 288-613-1
TL;DR: EINECS 288-613-1 (CAS 85851-53-2) is a chemical compound with molecular formula C26H30BrClN6O10 and molecular weight 700.09 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-(2-chloroacetyl)oxyethyl]-2-ethoxyanilino]ethyl butanoate
Also Known As: EINECS 288-613-1, 2-((5-(Acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)(2-((chloroacetyl)oxy)ethyl)amino)ethyl butyrate, 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-[2-(2-chloroacetyl)oxyethyl]-2-ethoxyanilino]ethyl butanoate, C-[5'-Bromo-4-methoxy-1'H-[2,2']bipyrrolyl-(5Z)-ylidene]-methylamine, 2-({4-[2-(2-BROMO-4,6-DINITROPHENYL)DIAZEN-1-YL]-5-ACETAMIDO-2-ETHOXYPHENYL}({2-[(2-CHLOROACETYL)OXY]ETHYL})AMINO)ETHYL BUTANOATE
| Molecular Formula | C26H30BrClN6O10 |
|---|---|
| Molecular Weight | 700.09 g/mol |
| LogP | 5.9697 |
| Topological Polar Surface Area | 205.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 700.08954 |
| Heavy Atoms | 44 |
| Complexity | 1424.167 |
Chemical Identifiers
| CAS Number | 85851-53-2 |
|---|---|
| SMILES | CCCC(=O)OCCN(CCOC(=O)CCl)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OCC |
Product Overview
EINECS 288-613-1 (CAS 85851-53-2), with molecular formula C26H30BrClN6O10 and molecular weight 700.09 g/mol. IUPAC: 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-[2-(2-chloroacetyl)oxyethyl]-2-ethoxyanilino]ethyl butanoate.
Chemical Property Profile of EINECS 288-613-1
Property Insights of EINECS 288-613-1
The XLogP value of 5.9697 indicates that EINECS 288-613-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.17 Ų indicates high polarity, suggesting EINECS 288-613-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-613-1 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 288-613-1?
The CAS number of EINECS 288-613-1 is 85851-53-2.
What is the molecular formula of EINECS 288-613-1?
The molecular formula of EINECS 288-613-1 is C26H30BrClN6O10.
What is the molecular weight of EINECS 288-613-1?
The molecular weight of EINECS 288-613-1 is 700.09 g/mol.
Where can I buy EINECS 288-613-1?
You can request a quote for EINECS 288-613-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-613-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-613-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.