![methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate structure](/static/products/904/904264-45-5.png)
methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate
TL;DR: methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate (CAS 904264-45-5) is a chemical compound with molecular formula C16H11ClO6 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxyacetate
Also Known As: methyl 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxyacetate, methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate, methyl 2-((6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy)acetate
| Molecular Formula | C16H11ClO6 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 2.857 |
| Topological Polar Surface Area | 85.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0244 |
| Heavy Atoms | 23 |
| Complexity | 975.61426 |
Chemical Identifiers
| CAS Number | 904264-45-5 |
|---|---|
| SMILES | COC(=O)COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O |
Product Overview
methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate (CAS 904264-45-5), with molecular formula C16H11ClO6 and molecular weight 334.02 g/mol. IUPAC: methyl 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxyacetate.
Chemical Property Profile of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate
Property Insights of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate
The XLogP value of 2.857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate. The TPSA of 85.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate. Following Lipinski's Rule of Five, methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate 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 methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate?
The CAS number of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate is 904264-45-5.
What is the molecular formula of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate?
The molecular formula of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate is C16H11ClO6.
What is the molecular weight of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate?
The molecular weight of methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate is 334.02 g/mol.
Where can I buy methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate?
You can request a quote for methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.