RefChem:574040
TL;DR: RefChem:574040 (CAS 61556-47-6) is a chemical compound with molecular formula C22H26N6O4 and molecular weight 438.20154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl N-butylcarbamate
Also Known As: Carbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester, Carbamic acid, butyl-, 2-((2-cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl ester, N-(2-Cyanoethyl)-N-(2-((((butylamino)carbonyl)oxy)ethyl)-4-nitrophenyl)azo)benzenamine, 2-((2-Cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl butylcarbamate, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate
Technical Specifications
| Molecular Formula | C22H26N6O4 |
| Molecular Weight | 438.20154 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 438.20154 Da |
| Heavy Atoms | 32 |
| Complexity | 643.0 |
| SMILES | CCCCNC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WFDRYDMTWFOSCK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:574040
Property Insights of RefChem:574040
The XLogP value of 4.3 indicates that RefChem:574040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:574040. Following Lipinski's Rule of Five, RefChem:574040 has 1 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:574040?
The CAS number of RefChem:574040 is 61556-47-6.
What is the molecular formula of RefChem:574040?
The molecular formula of RefChem:574040 is C22H26N6O4.
What is the molecular weight of RefChem:574040?
The molecular weight of RefChem:574040 is 438.20154 g/mol.
Where can I buy RefChem:574040?
You can request a quote for RefChem:574040 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:574040?
Yes, CoreyChem provides custom synthesis services for RefChem:574040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.