1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one
TL;DR: 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one (CAS 879446-40-9) is a chemical compound with molecular formula C21H15NO6 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-5-methyl-3-[(4-nitrophenyl)methoxy]xanthen-9-one
Also Known As: 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one, 1-hydroxy-5-methyl-3-[(4-nitrobenzyl)oxy]-9H-xanthen-9-one, 1-hydroxy-5-methyl-3-[(4-nitrophenyl)methoxy]xanthen-9-one
| Molecular Formula | C21H15NO6 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 4.44742 |
| Topological Polar Surface Area | 102.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.08994 |
| Heavy Atoms | 28 |
| Complexity | 1274.3021 |
Chemical Identifiers
| CAS Number | 879446-40-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one (CAS 879446-40-9), with molecular formula C21H15NO6 and molecular weight 377.09 g/mol. IUPAC: 1-hydroxy-5-methyl-3-[(4-nitrophenyl)methoxy]xanthen-9-one.
Chemical Property Profile of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one
Property Insights of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one
The XLogP value of 4.44742 indicates that 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one. Following Lipinski's Rule of Five, 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one has 1 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 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
The CAS number of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is 879446-40-9.
What is the molecular formula of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
The molecular formula of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is C21H15NO6.
What is the molecular weight of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
The molecular weight of 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is 377.09 g/mol.
Where can I buy 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
You can request a quote for 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-5-methyl-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.