RefChem:869102
TL;DR: RefChem:869102 (CAS 63467-16-3) is a chemical compound with molecular formula C22H22N6O4 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Also Known As: 3-[[1-(2,5-Dioxopyrrolidin-1-yl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile, 3-((1-(2,5-Dioxopyrrolidin-1-yl)ethyl)(3-methyl-4-((4-nitrophenyl)azo)phenyl)amino)propiononitrile, 3-[[1- ethyl][3-methyl-4-[ azo]phenyl]amino]propiononitrile, Propanenitrile, 3-((1-(2,5-dioxo-1-pyrrolidinyl)ethyl)(3-methyl-4-((4-nitrophenyl)azo)phenyl)amino)-, Propanenitrile, 3-((1-(2,5-dioxo-1-pyrrolidinyl)ethyl)(3-methyl-4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-
| Molecular Formula | C22H22N6O4 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.17026 |
| Heavy Atoms | 32 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 63467-16-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)C(C)N2C(=O)CCC2=O)N=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZESHOMYLYNAZBH-UHFFFAOYSA-N |
Product Overview
RefChem:869102 (CAS 63467-16-3), with molecular formula C22H22N6O4 and molecular weight 434.17 g/mol. IUPAC: 3-[N-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of RefChem:869102
Property Insights of RefChem:869102
The XLogP value of 3.2 indicates that RefChem:869102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869102. Following Lipinski's Rule of Five, RefChem:869102 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
Frequently Asked Questions
What is the CAS number of RefChem:869102?
The CAS number of RefChem:869102 is 63467-16-3.
What is the molecular formula of RefChem:869102?
The molecular formula of RefChem:869102 is C22H22N6O4.
What is the molecular weight of RefChem:869102?
The molecular weight of RefChem:869102 is 434.17 g/mol.
Where can I buy RefChem:869102?
You can request a quote for RefChem:869102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869102?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.