7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one
TL;DR: 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one (CAS 879562-97-7) is a chemical compound with molecular formula C20H12ClNO6 and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-hydroxy-3-[(4-nitrophenyl)methoxy]xanthen-9-one
Also Known As: 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one, 7-chloro-1-hydroxy-3-[(4-nitrobenzyl)oxy]-9H-xanthen-9-one, 7-chloro-1-hydroxy-3-[(4-nitrophenyl)methoxy]xanthen-9-one
| Molecular Formula | C20H12ClNO6 |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 4.7924 |
| Topological Polar Surface Area | 102.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0353 |
| Heavy Atoms | 28 |
| Complexity | 1280.1023 |
Chemical Identifiers
| CAS Number | 879562-97-7 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=CC(=C3C(=C2)OC4=C(C3=O)C=C(C=C4)Cl)O)[N+](=O)[O-] |
Product Overview
7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one (CAS 879562-97-7), with molecular formula C20H12ClNO6 and molecular weight 397.04 g/mol. IUPAC: 7-chloro-1-hydroxy-3-[(4-nitrophenyl)methoxy]xanthen-9-one.
Chemical Property Profile of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one
Property Insights of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one
The XLogP value of 4.7924 indicates that 7-chloro-1-hydroxy-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 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one. Following Lipinski's Rule of Five, 7-chloro-1-hydroxy-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 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
The CAS number of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is 879562-97-7.
What is the molecular formula of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
The molecular formula of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is C20H12ClNO6.
What is the molecular weight of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
The molecular weight of 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one is 397.04 g/mol.
Where can I buy 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
You can request a quote for 7-chloro-1-hydroxy-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 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-1-hydroxy-3-((4-nitrobenzyl)oxy)-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.