RefChem:869019
TL;DR: RefChem:869019 (CAS 68516-64-3) is a chemical compound with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate
Also Known As: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]-, 2-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)-3-methylanilino)ethyl acetate, 2-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-N-(2-CYANOETHYL)-3-METHYLANILINO]ETHYL ACETATE, 4-(2-Chloro-4-nitrophenylazo)-3-methyl-N-(beta-acetoxyethyl)-N-(beta-cyanoethyl)aniline, Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-chloro-4-nitrophenyl)azo)-3-methylphenyl)amino)-
| Molecular Formula | C20H20ClN5O4 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.1204 |
| Heavy Atoms | 30 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 68516-64-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | WZEDCVQFYOBERE-UHFFFAOYSA-N |
Product Overview
RefChem:869019 (CAS 68516-64-3), with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol. IUPAC: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate.
Chemical Property Profile of RefChem:869019
Property Insights of RefChem:869019
The XLogP value of 4.2 indicates that RefChem:869019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869019. Following Lipinski's Rule of Five, RefChem:869019 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:869019?
The CAS number of RefChem:869019 is 68516-64-3.
What is the molecular formula of RefChem:869019?
The molecular formula of RefChem:869019 is C20H20ClN5O4.
What is the molecular weight of RefChem:869019?
The molecular weight of RefChem:869019 is 429.12 g/mol.
Where can I buy RefChem:869019?
You can request a quote for RefChem:869019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869019?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.