RefChem:591957
TL;DR: RefChem:591957 (CAS 67923-44-8) is a chemical compound with molecular formula C20H21ClN4O6 and molecular weight 448.11 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-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: 2,2'-[[3-Chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate, 2,2'-((3-Chloro-4-((4-nitrophenyl)azo)phenyl)imino)bisethanol, diacetate (ester), 2,2'-(3-Chloro-4-((p-nitrophenyl)azo)phenylimino)diethanol diacetate (diester), 2,2'-((3-chloro-4-((4-nitrophenyl)azo)phenyl)imino)bisethyldiacetate, Ethanol, 2,2'-((3-chloro-4-((4-nitrophenyl)azo)phenyl)imino)bis-, diacetate (ester)
| Molecular Formula | C20H21ClN4O6 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.11496 |
| Heavy Atoms | 31 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 67923-44-8 |
|---|---|
| SMILES | CC(=O)OCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | XYVFLLFMYZLCTA-UHFFFAOYSA-N |
Product Overview
RefChem:591957 (CAS 67923-44-8), with molecular formula C20H21ClN4O6 and molecular weight 448.11 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-3-chloro-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:591957
Property Insights of RefChem:591957
The XLogP value of 4.1 indicates that RefChem:591957 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:591957. Following Lipinski's Rule of Five, RefChem:591957 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:591957?
The CAS number of RefChem:591957 is 67923-44-8.
What is the molecular formula of RefChem:591957?
The molecular formula of RefChem:591957 is C20H21ClN4O6.
What is the molecular weight of RefChem:591957?
The molecular weight of RefChem:591957 is 448.11 g/mol.
Where can I buy RefChem:591957?
You can request a quote for RefChem:591957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591957?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.