RefChem:571407
TL;DR: RefChem:571407 (CAS 71519-93-2) is a chemical compound with molecular formula C21H23BrN6O8 and molecular weight 566.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]butanoate
Also Known As: Ethyl 3-((5-acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)amino)butanoate, ethyl3-[[5- -4-[ azo]-2-methoxyphenyl]amino]butyrate, Ethyl 3-((5-acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)amino)butyrate, Butanoic acid, 3-((5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)amino)-, ethyl ester, Butanoic acid, 3-((5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)amino)-, ethyl ester
| Molecular Formula | C21H23BrN6O8 |
|---|---|
| Molecular Weight | 566.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.07605 |
| Heavy Atoms | 36 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 71519-93-2 |
|---|---|
| SMILES | CCOC(=O)CC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | MTGXPEMQXFZOQS-UHFFFAOYSA-N |
Product Overview
RefChem:571407 (CAS 71519-93-2), with molecular formula C21H23BrN6O8 and molecular weight 566.08 g/mol. IUPAC: ethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]butanoate.
Chemical Property Profile of RefChem:571407
Property Insights of RefChem:571407
The XLogP value of 4.4 indicates that RefChem:571407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:571407 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:571407 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:571407?
The CAS number of RefChem:571407 is 71519-93-2.
What is the molecular formula of RefChem:571407?
The molecular formula of RefChem:571407 is C21H23BrN6O8.
What is the molecular weight of RefChem:571407?
The molecular weight of RefChem:571407 is 566.08 g/mol.
Where can I buy RefChem:571407?
You can request a quote for RefChem:571407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:571407?
Yes, KEHONG BIO provides custom synthesis services for RefChem:571407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.