RefChem:551995
TL;DR: RefChem:551995 (CAS 52236-82-5) is a chemical compound with molecular formula C23H17NO7 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]acetate
Also Known As: Methyl (4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenoxy)acetate, Acetic acid, (4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)phenoxy)-, methyl ester, Methyl [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenoxy]acetate, Acetic acid, [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]-, methyl ester, methyl {4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenoxy}acetate
| Molecular Formula | C23H17NO7 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1005 |
| Heavy Atoms | 31 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 52236-82-5 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | ZESKQYXABHALKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:551995 (CAS 52236-82-5), with molecular formula C23H17NO7 and molecular weight 419.10 g/mol. IUPAC: methyl 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]acetate.
Chemical Property Profile of RefChem:551995
Property Insights of RefChem:551995
The XLogP value of 4.4 indicates that RefChem:551995 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:551995. Following Lipinski's Rule of Five, RefChem:551995 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:551995?
The CAS number of RefChem:551995 is 52236-82-5.
What is the molecular formula of RefChem:551995?
The molecular formula of RefChem:551995 is C23H17NO7.
What is the molecular weight of RefChem:551995?
The molecular weight of RefChem:551995 is 419.10 g/mol.
Where can I buy RefChem:551995?
You can request a quote for RefChem:551995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551995?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.