RefChem:567199
TL;DR: RefChem:567199 (CAS 6522-67-4) is a chemical compound with molecular formula C21H23BrN6O9 and molecular weight 582.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate
Also Known As: 2-Methoxyethyl N-5-(acetylamino)-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxyphenyl-alaninate, .beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-, 2-methoxyethyl ester, 2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate, 2-Methoxyethyl N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-beta-alaninate, 2-Methoxyethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-beta-alaninate
| Molecular Formula | C21H23BrN6O9 |
|---|---|
| Molecular Weight | 582.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 582.071 |
| Heavy Atoms | 37 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 6522-67-4 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)NCCC(=O)OCCOC |
| InChIKey | ASPNMPVSOMVHRA-UHFFFAOYSA-N |
Product Overview
RefChem:567199 (CAS 6522-67-4), with molecular formula C21H23BrN6O9 and molecular weight 582.07 g/mol. IUPAC: 2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate.
Chemical Property Profile of RefChem:567199
Property Insights of RefChem:567199
The XLogP value of 3.4 indicates that RefChem:567199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting RefChem:567199 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567199 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:567199?
The CAS number of RefChem:567199 is 6522-67-4.
What is the molecular formula of RefChem:567199?
The molecular formula of RefChem:567199 is C21H23BrN6O9.
What is the molecular weight of RefChem:567199?
The molecular weight of RefChem:567199 is 582.07 g/mol.
Where can I buy RefChem:567199?
You can request a quote for RefChem:567199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567199?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.