RefChem:552101
TL;DR: RefChem:552101 (CAS 52236-80-3) is a chemical compound with molecular formula C24H19NO7 and molecular weight 433.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]acetate
Also Known As: ethyl[4-[oxy]phenoxy]acetate, ethyl[4-[ oxy]phenoxy]acetate, Acetic acid, [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]-, ethyl ester, 2-(4-(1-Amino-4-hydroxy-9,10-dioxo-2-anthracenyloxy)phenoxy)acetic acid, ethyl ester, Ethyl [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenoxy]acetate
| Molecular Formula | C24H19NO7 |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.11615 |
| Heavy Atoms | 32 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 52236-80-3 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | JYNOZFVFSQTKFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:552101 (CAS 52236-80-3), with molecular formula C24H19NO7 and molecular weight 433.12 g/mol. IUPAC: ethyl 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]acetate.
Chemical Property Profile of RefChem:552101
Property Insights of RefChem:552101
The XLogP value of 4.7 indicates that RefChem:552101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:552101. Following Lipinski's Rule of Five, RefChem:552101 has 2 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:552101?
The CAS number of RefChem:552101 is 52236-80-3.
What is the molecular formula of RefChem:552101?
The molecular formula of RefChem:552101 is C24H19NO7.
What is the molecular weight of RefChem:552101?
The molecular weight of RefChem:552101 is 433.12 g/mol.
Where can I buy RefChem:552101?
You can request a quote for RefChem:552101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:552101?
Yes, KEHONG BIO provides custom synthesis services for RefChem:552101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.