RefChem:663785
TL;DR: RefChem:663785 (CAS 57414-26-3) is a chemical compound with molecular formula C21H21BrN6O8 and molecular weight 564.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxy-N-prop-2-enylanilino]acetate
Also Known As: Glycine, N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-2-propenyl-, methyl ester, Glycine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-2-propenyl-, methyl ester, Glycine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-2-propen-1-yl-, methyl ester, N-(2-(6-Bromo-2,4-dinitrophenylazo)-4-methoxy-5-(N-(2-propenyl)-N-(methoxycarbonylmethyl)amino)phenyl)acetamide, Glycine, N-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-2-propen-1-yl-, methyl ester
| Molecular Formula | C21H21BrN6O8 |
|---|---|
| Molecular Weight | 564.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.0604 |
| Heavy Atoms | 36 |
| Complexity | 849.0 |
Chemical Identifiers
| CAS Number | 57414-26-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC(=O)OC |
| InChIKey | ZBFUAGPRXUDDAB-UHFFFAOYSA-N |
Product Overview
RefChem:663785 (CAS 57414-26-3), with molecular formula C21H21BrN6O8 and molecular weight 564.06 g/mol. IUPAC: methyl 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxy-N-prop-2-enylanilino]acetate.
Chemical Property Profile of RefChem:663785
Property Insights of RefChem:663785
The XLogP value of 3.9 indicates that RefChem:663785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting RefChem:663785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:663785 has 1 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:663785?
The CAS number of RefChem:663785 is 57414-26-3.
What is the molecular formula of RefChem:663785?
The molecular formula of RefChem:663785 is C21H21BrN6O8.
What is the molecular weight of RefChem:663785?
The molecular weight of RefChem:663785 is 564.06 g/mol.
Where can I buy RefChem:663785?
You can request a quote for RefChem:663785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:663785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:663785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.