RefChem:272945
TL;DR: RefChem:272945 (CAS 63467-27-6) is a chemical compound with molecular formula C21H19ClN6O4 and molecular weight 454.11563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]anilino]propanenitrile
Also Known As: 2-(2,6-dimethylphenoxy)acetohydrazide, Propanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-, Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]-, 3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]propanenitrile, Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-
Technical Specifications
| Molecular Formula | C21H19ClN6O4 |
| Molecular Weight | 454.11563 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.11563 Da |
| Heavy Atoms | 32 |
| Complexity | 754.0 |
| SMILES | C1CC(=O)N(C1=O)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | FBLHEZYMEKQUQD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:272945
Property Insights of RefChem:272945
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272945. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272945. Following Lipinski's Rule of Five, RefChem:272945 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:272945?
The CAS number of RefChem:272945 is 63467-27-6.
What is the molecular formula of RefChem:272945?
The molecular formula of RefChem:272945 is C21H19ClN6O4.
What is the molecular weight of RefChem:272945?
The molecular weight of RefChem:272945 is 454.11563 g/mol.
Where can I buy RefChem:272945?
You can request a quote for RefChem:272945 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:272945?
Yes, CoreyChem provides custom synthesis services for RefChem:272945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.