RefChem:551817
TL;DR: RefChem:551817 (CAS 64611-94-5) is a chemical compound with molecular formula C25H23BrN6O4S and molecular weight 582.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl]-2-phenoxyacetamide
Also Known As: 2-Hydroxy-1-(4-nitro-phenyl)-aethanon, Acetamide, N-[2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy-, Acetamide, N-(2-((5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo)-5-(diethylamino)phenyl)-2-phenoxy-, N-[2-[(5-Bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxyacetamide, Acetamide, N-(2-(2-(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)diazenyl)-5-(diethylamino)phenyl)-2-phenoxy-
| Molecular Formula | C25H23BrN6O4S |
|---|---|
| Molecular Weight | 582.07 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.0685 |
| Heavy Atoms | 37 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 64611-94-5 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C3=C2C=NS3)[N+](=O)[O-])Br)NC(=O)COC4=CC=CC=C4 |
| InChIKey | CDYOIEJXFJYWAF-UHFFFAOYSA-N |
Product Overview
RefChem:551817 (CAS 64611-94-5), with molecular formula C25H23BrN6O4S and molecular weight 582.07 g/mol. IUPAC: N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl]-2-phenoxyacetamide.
Chemical Property Profile of RefChem:551817
Property Insights of RefChem:551817
The XLogP value of 6.3 indicates that RefChem:551817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting RefChem:551817 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551817 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551817?
The CAS number of RefChem:551817 is 64611-94-5.
What is the molecular formula of RefChem:551817?
The molecular formula of RefChem:551817 is C25H23BrN6O4S.
What is the molecular weight of RefChem:551817?
The molecular weight of RefChem:551817 is 582.07 g/mol.
Where can I buy RefChem:551817?
You can request a quote for RefChem:551817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.