RefChem:551659
TL;DR: RefChem:551659 (CAS 68052-45-9) is a chemical compound with molecular formula C17H17BrN6O6 and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(dimethylamino)-4-methoxyphenyl]acetamide
Also Known As: Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(dimethylamino)-4-methoxyphenyl]-, Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-(dimethylamino)-4-methoxyphenyl)-, Acetamide, N-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-(dimethylamino)-4-methoxyphenyl)-, N-(2-((2-Bromo-4,6-dinitrophenyl)azo)-5-(dimethylamino)-4-methoxyphenyl)acetamide, N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(dimethylamino)-4-methoxyphenyl]acetamide
| Molecular Formula | C17H17BrN6O6 |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.03928 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 68052-45-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(C)C |
| InChIKey | GBPDMIVQWNYIEM-UHFFFAOYSA-N |
Product Overview
RefChem:551659 (CAS 68052-45-9), with molecular formula C17H17BrN6O6 and molecular weight 480.04 g/mol. IUPAC: N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(dimethylamino)-4-methoxyphenyl]acetamide.
Chemical Property Profile of RefChem:551659
Property Insights of RefChem:551659
The XLogP value of 3.3 indicates that RefChem:551659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting RefChem:551659 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551659 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551659?
The CAS number of RefChem:551659 is 68052-45-9.
What is the molecular formula of RefChem:551659?
The molecular formula of RefChem:551659 is C17H17BrN6O6.
What is the molecular weight of RefChem:551659?
The molecular weight of RefChem:551659 is 480.04 g/mol.
Where can I buy RefChem:551659?
You can request a quote for RefChem:551659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551659?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.