RefChem:548651
TL;DR: RefChem:548651 (CAS 19014-53-0) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione
Also Known As: 9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-, 1-amino-4-hydroxy-2-{4-[(2-oxoazepan-1-yl)methyl]phenoxy}-9,10-anthraquinone, 1-((4-((1-Amino-4-hydroxy-2-anthraquinonyl)oxy)phenyl)methyl)hexahydro-2H-azepin-2-one, 1-Amino-2-[p-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxyanthraquinone, 1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 19014-53-0 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N |
| InChIKey | MUABDJUHEPDWHI-UHFFFAOYSA-N |
Product Overview
RefChem:548651 (CAS 19014-53-0), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: 1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione.
Chemical Property Profile of RefChem:548651
Property Insights of RefChem:548651
The XLogP value of 4.5 indicates that RefChem:548651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:548651. Following Lipinski's Rule of Five, RefChem:548651 has 2 hydrogen bond donor(s) and 6 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:548651?
The CAS number of RefChem:548651 is 19014-53-0.
What is the molecular formula of RefChem:548651?
The molecular formula of RefChem:548651 is C27H24N2O5.
What is the molecular weight of RefChem:548651?
The molecular weight of RefChem:548651 is 456.17 g/mol.
Where can I buy RefChem:548651?
You can request a quote for RefChem:548651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.