methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate
TL;DR: methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate (CAS 896064-27-0) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxyacetate
Also Known As: methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate, methyl 2-(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxyacetate, methyl [(1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy]acetate
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.51202 |
| Topological Polar Surface Area | 85.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 970.1274 |
Chemical Identifiers
| CAS Number | 896064-27-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)C3=C(C=C(C=C3O2)OCC(=O)OC)O |
Product Overview
methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate (CAS 896064-27-0), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: methyl 2-(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxyacetate.
Chemical Property Profile of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate
Property Insights of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate
The XLogP value of 2.51202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((1-hydroxy-5-methyl-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 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate. Following Lipinski's Rule of Five, methyl 2-((1-hydroxy-5-methyl-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 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate?
The CAS number of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate is 896064-27-0.
What is the molecular formula of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate?
The molecular formula of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate is C17H14O6.
What is the molecular weight of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate?
The molecular weight of methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate is 314.08 g/mol.
Where can I buy methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate?
You can request a quote for methyl 2-((1-hydroxy-5-methyl-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 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.