RefChem:551652
TL;DR: RefChem:551652 (CAS 68877-63-4) is a chemical compound with molecular formula C21H20BrN7O6 and molecular weight 545.07 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-[2-cyanoethyl(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
Also Known As: BROMODINITROPHENYLAZOCYANOETHYL*ACETAMIDE, N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)-2-propenylamino]-4-methoxyphenyl]acetamide, Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)-2-propenylamino)-4-methoxyphenyl)-, Acetamide, N-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-((2-cyanoethyl)-2-propen-1-ylamino)-4-methoxyphenyl)-, N-(2-((2-Bromo-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)-2-propenylamino)-4-methoxyphenyl)acetamide
| Molecular Formula | C21H20BrN7O6 |
|---|---|
| Molecular Weight | 545.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.06586 |
| Heavy Atoms | 35 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 68877-63-4 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CC=C |
| InChIKey | WUAQCCUTLFMZFP-UHFFFAOYSA-N |
Product Overview
RefChem:551652 (CAS 68877-63-4), with molecular formula C21H20BrN7O6 and molecular weight 545.07 g/mol. IUPAC: N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(prop-2-enyl)amino]-4-methoxyphenyl]acetamide.
Chemical Property Profile of RefChem:551652
Property Insights of RefChem:551652
The XLogP value of 3.7 indicates that RefChem:551652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting RefChem:551652 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551652 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551652?
The CAS number of RefChem:551652 is 68877-63-4.
What is the molecular formula of RefChem:551652?
The molecular formula of RefChem:551652 is C21H20BrN7O6.
What is the molecular weight of RefChem:551652?
The molecular weight of RefChem:551652 is 545.07 g/mol.
Where can I buy RefChem:551652?
You can request a quote for RefChem:551652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551652?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.