RefChem:828005
TL;DR: RefChem:828005 (CAS 67875-05-2) is a chemical compound with molecular formula C21H19BrN8O6 and molecular weight 558.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Also Known As: Acetamide, N-(5-(bis(2-cyanoethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-, Acetamide, N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-, N-[5-[bis amino]-2-[ azo]-4-methoxyphenyl]acetamide, p-Acetanisidide, 5'-(bis(2-cyanoethyl)amino)-2'-((2-bromo-4,6-dinitrophenyl)azo)-, Acetamide, N-(5-(bis(2-cyanoethyl)amino)-2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-
| Molecular Formula | C21H19BrN8O6 |
|---|---|
| Molecular Weight | 558.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 558.0611 |
| Heavy Atoms | 36 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 67875-05-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCC#N |
| InChIKey | IQWWXXQLHSFCJP-UHFFFAOYSA-N |
Product Overview
RefChem:828005 (CAS 67875-05-2), with molecular formula C21H19BrN8O6 and molecular weight 558.06 g/mol. IUPAC: N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide.
Chemical Property Profile of RefChem:828005
Property Insights of RefChem:828005
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:828005. The TPSA of 206.0 Ų indicates high polarity, suggesting RefChem:828005 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:828005 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:828005?
The CAS number of RefChem:828005 is 67875-05-2.
What is the molecular formula of RefChem:828005?
The molecular formula of RefChem:828005 is C21H19BrN8O6.
What is the molecular weight of RefChem:828005?
The molecular weight of RefChem:828005 is 558.06 g/mol.
Where can I buy RefChem:828005?
You can request a quote for RefChem:828005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:828005?
Yes, KEHONG BIO provides custom synthesis services for RefChem:828005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.