RefChem:868998
TL;DR: RefChem:868998 (CAS 68391-49-1) is a chemical compound with molecular formula C22H23ClN6O4 and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2-cyanoethoxy)ethyl]anilino]ethoxy]propanenitrile
Also Known As: 3,3'-(((4-((2-Chloro-4-nitrophenyl)azo)phenyl)imino)bis(ethyleneoxy))bispropiononitrile, Aniline, 4-(2-chloro-4-nitrophenylazo)-N,N-di-beta-cyanoethoxyethyl-, 3,3'-[[[4-[ azo]phenyl]imino]bis ]bispropiononitrile, Propanenitrile, 3,3'-(((4-((2-chloro-4-nitrophenyl)azo)phenyl)imino)bis(2,1-ethanediyloxy))bis-, Propanenitrile, 3,3'-((2-(4-((2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis(2,1-ethanediyloxy))bis-
| Molecular Formula | C22H23ClN6O4 |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 470.14694 |
| Heavy Atoms | 33 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 68391-49-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCOCCC#N)CCOCCC#N |
| InChIKey | FQPWUOTVBNCXQS-UHFFFAOYSA-N |
Product Overview
RefChem:868998 (CAS 68391-49-1), with molecular formula C22H23ClN6O4 and molecular weight 470.15 g/mol. IUPAC: 3-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2-cyanoethoxy)ethyl]anilino]ethoxy]propanenitrile.
Chemical Property Profile of RefChem:868998
Property Insights of RefChem:868998
The XLogP value of 3.4 indicates that RefChem:868998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:868998 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:868998 has 0 hydrogen bond donor(s) and 9 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:868998?
The CAS number of RefChem:868998 is 68391-49-1.
What is the molecular formula of RefChem:868998?
The molecular formula of RefChem:868998 is C22H23ClN6O4.
What is the molecular weight of RefChem:868998?
The molecular weight of RefChem:868998 is 470.15 g/mol.
Where can I buy RefChem:868998?
You can request a quote for RefChem:868998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.