RefChem:591953
TL;DR: RefChem:591953 (CAS 68938-64-7) is a chemical compound with molecular formula C20H19Cl3N4O6 and molecular weight 516.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-acetyloxyethyl)-3-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: 2,2'-((3-Chloro-4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)imino)bisethyl diacetate, 2,2'-[[3-chloro-4-[ azo]phenyl]imino]bisethyldiacetate, Ethanol, 2,2'-((3-chloro-4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)imino)bis-, diacetate (ester), Ethanol, 2,2'-((3-chloro-4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-, 1,1'-diacetate, Ethanol, 2,2'-[[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
| Molecular Formula | C20H19Cl3N4O6 |
|---|---|
| Molecular Weight | 516.04 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.037 |
| Heavy Atoms | 33 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 68938-64-7 |
|---|---|
| SMILES | CC(=O)OCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)Cl |
| InChIKey | MWYXQLHONLIBGE-UHFFFAOYSA-N |
Product Overview
RefChem:591953 (CAS 68938-64-7), with molecular formula C20H19Cl3N4O6 and molecular weight 516.04 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-3-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:591953
Property Insights of RefChem:591953
The XLogP value of 5.3 indicates that RefChem:591953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:591953. Following Lipinski's Rule of Five, RefChem:591953 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:591953?
The CAS number of RefChem:591953 is 68938-64-7.
What is the molecular formula of RefChem:591953?
The molecular formula of RefChem:591953 is C20H19Cl3N4O6.
What is the molecular weight of RefChem:591953?
The molecular weight of RefChem:591953 is 516.04 g/mol.
Where can I buy RefChem:591953?
You can request a quote for RefChem:591953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591953?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.