RefChem:551820
TL;DR: RefChem:551820 (CAS 64346-60-7) is a chemical compound with molecular formula C21H23ClN6O4 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-[2-cyanoethyl(2-hydroxybutyl)amino]phenyl]acetamide
Also Known As: Acetamide, N-(2-((2-chloro-4-nitrophenyl)azo)-5-((2-cyanoethyl)(2-hydroxybutyl)amino)phenyl)-, Acetamide, N-(2-(2-(2-chloro-4-nitrophenyl)diazenyl)-5-((2-cyanoethyl)(2-hydroxybutyl)amino)phenyl)-, Acetamide, N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxybutyl)amino]phenyl]-, Acetamide, N-[2-[2-(2-chloro-4-nitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxybutyl)amino]phenyl]-, ACETAMIDE,N-[2-[(2-CHLORO-4-NITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYBUTYL)AMINO]PHENYL]-
| Molecular Formula | C21H23ClN6O4 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.14694 |
| Heavy Atoms | 32 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 64346-60-7 |
|---|---|
| SMILES | CCC(CN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C)O |
| InChIKey | LJVVMJXKCKXHKB-UHFFFAOYSA-N |
Product Overview
RefChem:551820 (CAS 64346-60-7), with molecular formula C21H23ClN6O4 and molecular weight 458.15 g/mol. IUPAC: N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-[2-cyanoethyl(2-hydroxybutyl)amino]phenyl]acetamide.
Chemical Property Profile of RefChem:551820
Property Insights of RefChem:551820
The XLogP value of 3.4 indicates that RefChem:551820 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:551820 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551820 has 2 hydrogen bond donor(s) and 8 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:551820?
The CAS number of RefChem:551820 is 64346-60-7.
What is the molecular formula of RefChem:551820?
The molecular formula of RefChem:551820 is C21H23ClN6O4.
What is the molecular weight of RefChem:551820?
The molecular weight of RefChem:551820 is 458.15 g/mol.
Where can I buy RefChem:551820?
You can request a quote for RefChem:551820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.